SCHEMBL18878409

SCHEMBL18878409

CC(C)c1cccn1-c1nccs1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.54
GLA P06280 1/20 0.54
ALDH1A1 P00352 5/20 0.42
GAA P10253 2/20 0.42
MAPK1 P28482 1/20 0.42
SLC11A2 P49281 1/20 0.37
CYP17A1 P05093 1/20 0.36
CYP1A2 P05177 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TYK2 P29597 1/20 0.35
OGA O60502 1/20 0.35
PKM P14618 2/20 0.35
KDM4E B2RXH2 2/20 0.35
HSD17B10 Q99714 1/20 0.35
MAPT P10636 1/20 0.35
G6PD P11413 1/20 0.35

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
SCHEMBL20621633 0.82 LMNA (0.47) LMNAGLAALDH1A1GAAMAPK1
SCHEMBL12349896 0.77 LMNA (0.58) LMNAGLAALDH1A1GAAMAPK1
SCHEMBL16198293 0.74 ALDH1A1 (0.48) LMNAGLAALDH1A1GAAMAPK1
SCHEMBL16198389 0.74 LMNA (0.58) LMNAGLAALDH1A1GAAMAPK1
SCHEMBL24227149 0.73 LMNA (0.54) LMNAGLAALDH1A1GAAMAPK1
SCHEMBL17520238 0.73 LMNA (0.54) LMNAGLAALDH1A1GAAMAPK1
SCHEMBL18878424 0.73 RPS6KA5 (0.40) LMNAALDH1A1OGAMAPT
SCHEMBL26544755 0.72 LMNA (0.53) LMNAGLAALDH1A1GAASLC11A2
SCHEMBL20687698 0.72 TYK2 (0.46) LMNAGLAALDH1A1GAAMAPK1
SCHEMBL16198462 0.71 ALDH1A1 (0.46) LMNAGLAALDH1A1GAAMAPK1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11236082-B2 EZH2 inhibitors and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-02-01 US disclosed
US-20200338074-A1 COMBINATION THERAPY OF TRANSCRIPTION INHIBITORS AND KINASE INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-10-29 US disclosed
US-10702527-B2 Combination therapy of transcription inhibitors and kinase inhibitors DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-07-07 US disclosed
US-10308653-B2 Diazepane derivatives and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-06-04 US disclosed
US-20190015411-A9 COMBINATION THERAPY OF TRANSCRIPTION INHIBITORS AND KINASE INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-01-17 US disclosed
US-20190000860-A1 USE OF COMPOSITIONS MODULATING CHROMATIN STRUCTURE FOR GRAFT VERSUS HOST DISEASE (GVHD) DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-01-03 US disclosed
US-20180169097-A1 COMBINATION THERAPY OF TRANSCRIPTION INHIBITORS AND KINASE INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-06-21 US disclosed
US-20180169097-A1 COMBINATION THERAPY OF TRANSCRIPTION INHIBITORS AND KINASE INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-06-21 US disclosed
US-9951074-B2 Dihydropteridinone derivatives and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-04-24 US disclosed
US-9951074-B2 Dihydropteridinone derivatives and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-04-24 US disclosed
US-20170145023-A1 DIAZEPANE DERIVATIVES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-05-25 US disclosed
US-20170145023-A1 DIAZEPANE DERIVATIVES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-05-25 US disclosed
US-20170145013-A1 DIHYDROPTERIDINONE DERIVATIVES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-05-25 US disclosed
US-20170145013-A1 DIHYDROPTERIDINONE DERIVATIVES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-05-25 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 (9 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-20190000860-A1 USE OF COMPOSITIONS MODULATING CHROMATIN STRUCTURE FOR GRAFT VERSUS HOST DISEASE (GVHD) BCL6, BCL6B, EZH2 LMNA 4192/4885GLA 3493/4885ALDH1A1 4211/4885
US-10308653-B2 Diazepane derivatives and uses thereof BRDT, BRD4, BAZ2A LMNA 744/4885GLA 1478/4885ALDH1A1 3052/4885
US-10702527-B2 Combination therapy of transcription inhibitors and kinase inhibitors CHUK, BCOR, MYC LMNA 2211/4885GLA 2697/4885ALDH1A1 3413/4885
US-20180169097-A1 COMBINATION THERAPY OF TRANSCRIPTION INHIBITORS AND KINASE INHIBITORS CHUK, BCOR, MYC LMNA 2211/4885GLA 2697/4885ALDH1A1 3413/4885
US-20190015411-A9 COMBINATION THERAPY OF TRANSCRIPTION INHIBITORS AND KINASE INHIBITORS CHUK, BCOR, MYC LMNA 2211/4885GLA 2697/4885ALDH1A1 3413/4885
US-20170145013-A1 DIHYDROPTERIDINONE DERIVATIVES AND USES THEREOF BRDT, BRD4, BRD3 LMNA 753/4885GLA 1558/4885ALDH1A1 2824/4885
US-11236082-B2 EZH2 inhibitors and uses thereof EZH2, EZH1, BMI1 LMNA 2203/4885GLA 2085/4885ALDH1A1 1655/4885
US-20200338074-A1 COMBINATION THERAPY OF TRANSCRIPTION INHIBITORS AND KINASE INHIBITORS CHUK, BCOR, MYC LMNA 2211/4885GLA 2697/4885ALDH1A1 3413/4885
US-20170145023-A1 DIAZEPANE DERIVATIVES AND USES THEREOF BRDT, BRD4, BAZ2A LMNA 744/4885GLA 1478/4885ALDH1A1 3052/4885

“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.