SCHEMBL270865

SCHEMBL270865

CC(C)(C)c1cccc(-c2nnn[nH]2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.49
RXRA P19793 2/20 0.41
RXRB P28702 2/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
OPRD1 P41143 3/20 0.38
OPRM1 P35372 1/20 0.38
OPRK1 P41145 1/20 0.38
PTAFR P25105 1/20 0.36
ACHE P22303 1/20 0.36
SCN2A Q99250 1/20 0.36
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
KCNK18 Q7Z418 1/20 0.35
TMEM97 Q5BJF2 1/20 0.34
SIGMAR1 Q99720 1/20 0.34

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
SCHEMBL703748 0.83 SCN2A (0.53) CYP3A4CYP2C9SCN2AIKBKBPIN1
SCHEMBL12761250 0.82 GP6 (0.37)
SCHEMBL270345 0.79 XDH (0.47) KIF11
SCHEMBL19736688 0.78 KIF11 (0.32) KIF11
SCHEMBL513232 0.77 ALDH1A1 (0.44) CYP2C9ACHEPIN1
SCHEMBL8336907 0.76 NOTUM (0.32)
SCHEMBL13713676 0.76 KDM4E (0.37) CYP3A4CYP2C9CYP2C19
SCHEMBL4655029 0.75 GP6 (0.49) CYP3A4CYP2C9CYP2C19
Water SCHEMBL10460296 0.75 MRGPRX4 (0.37) CYP3A4CYP2C9CYP2C19
SCHEMBL13525158 0.75 ALDH1A1 (0.41) CYP2C9PIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230339871-A1 COMPOUNDS AND METHODS OF MODULATING 17B-HYDROXYSTEROID DEHYDROGENASE TYPE 13 METREA BIOSCIENCES INC (US) 2023-10-26 US disclosed
US-20220202818-A1 COMBINATION WITH CHECKPOINT INHIBITORS TO TREAT CANCER NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-06-30 US disclosed
US-20220177443-A1 SMALL MOLECULE DEGRADERS OF HELIOS AND METHODS OF USE DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-06-09 US disclosed
US-20210023085-A1 SMALL MOLECULE INHIBITORS OF EGFR AND PI3K THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2021-01-28 US disclosed
US-10842791-B2 Small molecule inhibitors of EGFR and PI3K THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2020-11-24 US disclosed
US-20200317705-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. 2020-10-08 US disclosed
US-20190167686-A1 SMALL MOLECULE INHIBITORS OF EGFR AND PI3K THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2019-06-06 US disclosed
US-10206924-B2 Small molecule inhibitors of EGFR and PI3K THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2019-02-19 US disclosed
US-20170360788-A1 SMALL MOLECULE INHIBITORS OF EGFR AND PI3K THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2017-12-21 US disclosed
US-20170360788-A1 SMALL MOLECULE INHIBITORS OF EGFR AND PI3K THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2017-12-21 US disclosed
US-7626039-B2 Arylpropionamide, arylacrylamide, ayrlpropynamide, or arylmethylurea analogs as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-12-01 US disclosed
US-20090286789-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases TARGEGEN, INC. (US) 2009-11-19 US disclosed
US-20090275582-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases IMPACT BIOMEDICINES, INC. 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-7528143-B2 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2009-05-05 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-20080161373-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB CO. 2008-07-03 US disclosed
US-20070259904-A1 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2007-11-08 US disclosed
US-20070191405-A1 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2007-08-16 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 (16 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-10206924-B2 Small molecule inhibitors of EGFR and PI3K EGFR, ERBB2, ERBB3 KIF11 3653/4885RXRA 4158/4885RXRB 4289/4885
US-20220177443-A1 SMALL MOLECULE DEGRADERS OF HELIOS AND METHODS OF USE IKZF2, IKZF1, IKZF3 KIF11 180/4885RXRA 2457/4885RXRB 2400/4885
US-20170360788-A1 SMALL MOLECULE INHIBITORS OF EGFR AND PI3K EGFR, ERBB2, ERBB3 KIF11 3653/4885RXRA 4158/4885RXRB 4289/4885
US-20080161373-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS TFPI, F11, F12 KIF11 1031/4885RXRA 2765/4885RXRB 3968/4885
US-20090286789-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases JAK2, TYK2, LTK KIF11 4473/4885RXRA 1926/4885RXRB 1847/4885
US-20070191405-A1 Bi-aryl meta-pyrimidine inhibitors of kinases JAK2, TYK2, JAK3 KIF11 3097/4885RXRA 1953/4885RXRB 1964/4885
US-20210023085-A1 SMALL MOLECULE INHIBITORS OF EGFR AND PI3K EGFR, ERBB2, ERBB3 KIF11 3653/4885RXRA 4158/4885RXRB 4289/4885
US-20070259904-A1 Bi-aryl meta-pyrimidine inhibitors of kinases JAK2, TYK2, JAK3 KIF11 3097/4885RXRA 1953/4885RXRB 1964/4885
US-20090275582-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases JAK2, TYK2, JAK3 KIF11 3097/4885RXRA 1953/4885RXRB 1964/4885
US-10842791-B2 Small molecule inhibitors of EGFR and PI3K EGFR, ERBB2, ERBB3 KIF11 3653/4885RXRA 4158/4885RXRB 4289/4885
US-20190167686-A1 SMALL MOLECULE INHIBITORS OF EGFR AND PI3K EGFR, ERBB2, ERBB3 KIF11 3653/4885RXRA 4158/4885RXRB 4289/4885
US-20230339871-A1 COMPOUNDS AND METHODS OF MODULATING 17B-HYDROXYSTEROID DEHYDROGENASE TYPE 13 HSD17B1, HSD17B13, HSD17B11 KIF11 3161/4885RXRA 1269/4885RXRB 807/4885
US-20090253766-A1 THIOPHENE DERIVATIVES AS FACTOR XIA INHIBITORS TFPI, F12, F11 KIF11 1678/4885RXRA 3697/4885RXRB 4148/4885
US-20200317705-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 KIF11 2683/4885RXRA 4602/4885RXRB 4451/4885
US-20220202818-A1 COMBINATION WITH CHECKPOINT INHIBITORS TO TREAT CANCER CD274, PDCD1, PDCD1LG2 KIF11 410/4885RXRA 1903/4885RXRB 1967/4885
US-20090181983-A1 SIX-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS TFPI, F11, F12 KIF11 1038/4885RXRA 3207/4885RXRB 3880/4885

“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.