SCHEMBL1622503

SCHEMBL1622503

CC(C)(C)c1ccc(-c2cncnc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.62
DGAT1 O75907 1/20 0.55
ATM Q13315 1/20 0.50
XDH P47989 2/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
CYP19A1 P11511 1/20 0.44
TSHR P16473 1/20 0.42
CYP2A6 P11509 1/20 0.41
LMNA P02545 1/20 0.41
TYR P14679 1/20 0.41
KDM4E B2RXH2 2/20 0.40
HTR1D P28221 1/20 0.40
ADRA1A P35348 1/20 0.40
NISCH Q9Y2I1 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21346444 0.89 ALDH1A1 (0.52) KIF11DGAT1ATMXDHNPC1
SCHEMBL13806332 0.80 KIF11 (0.44) KIF11DGAT1ATMXDHNPC1
SCHEMBL10154080 0.80 KIF11 (0.60) KIF11DGAT1XDHNPC1RAB9A
SCHEMBL10154066 0.80 KIF11 (0.60) KIF11DGAT1XDHNPC1RAB9A
SCHEMBL26915 0.80 KIF11 (0.70) KIF11XDHNPC1RAB9ATSHR
SCHEMBL3423876 0.80 KIF11 (0.70) KIF11XDHNPC1RAB9ATSHR
SCHEMBL6682176 0.80 ATM (0.72) ATMXDHNPC1RAB9ACYP2A6
SCHEMBL13611668 0.79 ATM (0.43) KIF11DGAT1ATMXDHNPC1
SCHEMBL17171891 0.79 KIF11 (0.48) KIF11DGAT1XDHCYP19A1
SCHEMBL1931781 0.77 KIF11 (0.67) KIF11DGAT1XDHNPC1RAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 55 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240067641-A1 INHIBITORS OF TRIM33 AND METHODS OF USE DANA-FARBER CANCER INSTITUTE, INC. (US) 2024-02-29 US disclosed
US-11731967-B2 Inhibitors of TRIM33 and methods of use DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-08-22 US disclosed
US-11731967-B2 Inhibitors of TRIM33 and methods of use DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-08-22 US disclosed
US-20230250090-A1 KDM1A INHIBITORS FOR THE TREATMENT OF DISEASE IMAGO BIOSCIENCES INC (US) 2023-08-10 US disclosed
US-11648254-B2 Substituted pyrido[2,3-d]pyrimidines as inhibitors of Ras pathway signaling KUMQUAT BIOSCIENCES INC. (US) 2023-05-16 US disclosed
US-11648254-B2 Substituted pyrido[2,3-d]pyrimidines as inhibitors of Ras pathway signaling KUMQUAT BIOSCIENCES INC. (US) 2023-05-16 US disclosed
US-20230064360-A1 HETEROCYCLES AND USES THEREOF KUMQUAT BIOSCIENCES INC. 2023-03-02 US disclosed
US-20200255422-A1 INHIBITORS OF TRIM33 AND METHODS OF USE DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-08-13 US disclosed
US-10206893-B2 Immunoregulatory agents FLEXUS BIOSCIENCES, INC. (US) 2019-02-19 US disclosed
US-20180022707-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2018-01-25 US disclosed
US-20090275099-A1 Methods and compositions for treating diseases and conditions associated with mitochondrial function REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2009-11-05 US disclosed
US-20090253766-A1 THIOPHENE DERIVATIVES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-10-08 US disclosed
US-20090181983-A1 SIX-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL -MEYERS SQUIBB COMPANY 2009-07-16 US disclosed
US-7557110-B2 MAPKAP-K2; inflammatory disease, autoimmune disease, destructive bone disorder, cancer and/or tumour growth; 5-[(trans-4-aminocyclohexyl)amino]-3-fluoro-6-methyl(pyrazolo[1,5-a]pyri- midin-7-yl)}(4-iodophenyl)amine TEIJIN PHARMA LIMITED (JP) 2009-07-07 US disclosed
US-7557110-B2 MAPKAP-K2; inflammatory disease, autoimmune disease, destructive bone disorder, cancer and/or tumour growth; 5-[(trans-4-aminocyclohexyl)amino]-3-fluoro-6-methyl(pyrazolo[1,5-a]pyri- midin-7-yl)}(4-iodophenyl)amine TEIJIN PHARMA LIMITED (JP) 2009-07-07 US disclosed
US-7417053-B2 Pyrazolo[1,5-a]pyridine derivatives or pharmaceutically acceptable salts thereof TEIJIN PHARMA LIMITED (JP) 2008-08-26 US disclosed
US-20080161373-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB CO. 2008-07-03 US disclosed
US-20070111994-A1 Novel 1,4-benzodiazepine-2,5-diones with therapeutic properties REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2007-05-17 US disclosed
US-20070111994-A1 Novel 1,4-benzodiazepine-2,5-diones with therapeutic properties REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2007-05-17 US disclosed
US-20070072898-A1 Pyrazolo[1,5-a]pyridine derivatives or pharmaceutically acceptable salts thereof TEIJIN PHARMA LIMITED 2007-03-29 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (14 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11648254-B2 Substituted pyrido[2,3-d]pyrimidines as inhibitors of Ras pathway signaling KRAS, NRAS, BRAF KIF11 3998/4885DGAT1 3858/4885ATM 654/4885
US-11731967-B2 Inhibitors of TRIM33 and methods of use TRIM33, TRIM28, TRIM4 KIF11 2061/4885DGAT1 3586/4885ATM 2080/4885
US-20070072898-A1 Pyrazolo[1,5-a]pyridine derivatives or pharmaceutically acceptable salts thereof MAPKAPK2, MAP4K2, MAPKAPK5 KIF11 310/4885DGAT1 2983/4885ATM 614/4885
US-10206893-B2 Immunoregulatory agents IDO1, IDO2, INMT KIF11 4520/4885DGAT1 854/4885ATM 3250/4885
US-20080161373-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS TFPI, F11, F12 KIF11 1031/4885DGAT1 4551/4885ATM 585/4885
US-20230064360-A1 HETEROCYCLES AND USES THEREOF KRAS, HRAS, TP53 KIF11 4463/4885DGAT1 3632/4885ATM 517/4885
US-20230250090-A1 KDM1A INHIBITORS FOR THE TREATMENT OF DISEASE KDM1B, KDM1A, KDM2A KIF11 3370/4885DGAT1 2741/4885ATM 2067/4885
US-20090275099-A1 Methods and compositions for treating diseases and conditions associated with mitochondrial function ATP5F1A, ATP5MF, MT-ATP6 KIF11 3565/4885DGAT1 1687/4885ATM 2935/4885
US-20200255422-A1 INHIBITORS OF TRIM33 AND METHODS OF USE TRIM33, TRIM28, TRIM4 KIF11 2061/4885DGAT1 3586/4885ATM 2080/4885
US-20090253766-A1 THIOPHENE DERIVATIVES AS FACTOR XIA INHIBITORS TFPI, F12, F11 KIF11 1678/4885DGAT1 4519/4885ATM 690/4885
US-20240067641-A1 INHIBITORS OF TRIM33 AND METHODS OF USE TRIM33, TRIM28, TRIM4 KIF11 2061/4885DGAT1 3586/4885ATM 2080/4885
US-20180022707-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF KDM1B, KDM6B, KDM2B KIF11 2129/4885DGAT1 1494/4885ATM 2244/4885
US-20070111994-A1 Novel 1,4-benzodiazepine-2,5-diones with therapeutic properties BAD, GABRA5, GABRB1 KIF11 4574/4885DGAT1 4163/4885ATM 3151/4885
US-20090181983-A1 SIX-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS TFPI, F11, F12 KIF11 1038/4885DGAT1 4689/4885ATM 1000/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.