SCHEMBL14438043

SCHEMBL14438043

Cc1cc2cc[nH]c2nn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
CDK8 P49336 3/20 0.39
AXL P30530 2/20 0.39
PIK3CA P42336 2/20 0.38
PIK3CD O00329 1/20 0.38
PIK3CB P42338 1/20 0.38
PIK3CG P48736 1/20 0.38
NUDT1 P36639 2/20 0.38
RIPK1 Q13546 2/20 0.37
ALOX5AP P20292 2/20 0.36
FEN1 P39748 2/20 0.36
KDR P35968 2/20 0.36
BRD4 O60885 2/20 0.36
FGFR1 P11362 1/20 0.36
GRM5 P41594 4/20 0.35
PLK4 O00444 1/20 0.34
DCLK1 O15075 1/20 0.34
ROCK2 O75116 1/20 0.34
PRKD3 O94806 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
SCHEMBL30456972 0.74 AXL (0.39) ADORA2AADORA1CDK8AXLPIK3CA
SCHEMBL1564616 0.74 AXL (0.39) ADORA2AADORA1CDK8AXLPIK3CA
SCHEMBL20674174 0.74 RIPK1 (0.44) CDK8AXLPIK3CAPIK3CDPIK3CB
SCHEMBL17388984 0.74 CDK8 (0.39) CDK8AXLPIK3CAPIK3CDPIK3CB
SCHEMBL15930207 0.74 CDK8 (0.36) CDK8AXLPIK3CAPIK3CDPIK3CB
SCHEMBL21958557 0.74 KDR (0.36) CDK8AXLPIK3CAPIK3CDPIK3CB
SCHEMBL30062504 0.74 KDR (0.36) CDK8AXLPIK3CAPIK3CDPIK3CB
SCHEMBL18238981 0.74 CDK8 (0.37) CDK8AXLPIK3CAPIK3CDPIK3CB
SCHEMBL19153634 0.72 ADORA2A (0.56) ADORA2AADORA1AXL
SCHEMBL26538899 0.71 FGFR1 (0.38) CDK8AXLPIK3CAPIK3CDPIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240024488-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. 2024-01-25 US disclosed
US-20230322803-A1 SUBSTITUTED OXOISOINDOLINE COMPOUNDS FOR THE TREATMENT OF CANCER BRISTOL MYERS SQUIBB CO (US) 2023-10-12 US disclosed
US-20230322803-A1 SUBSTITUTED OXOISOINDOLINE COMPOUNDS FOR THE TREATMENT OF CANCER BRISTOL MYERS SQUIBB CO (US) 2023-10-12 US disclosed
US-11230544-B1 Substituted 1,3,4-thiadiazoles as GLS1 inhibitors MEDSHINE DISCOVERY INC. (CN) 2022-01-25 US disclosed
WO-2021194914-A1 SUBSTITUTED OXOISOINDOLINE COMPOUNDS FOR THE TREATMENT OF CANCER BRISTOL-MYERS SQUIBB COMPANY (US) 2021-09-30 WO disclosed
EP-2951169-B1 FLAP MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2019-08-28 EP disclosed
US-20170327514-A1 FLAP MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2017-11-16 US disclosed
US-9732093-B2 FLAP modulators JANSSEN PHARMACEUTICA NV (BE) 2017-08-15 US disclosed
US-20170202970-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME BLINKBIO, INC. 2017-07-20 US disclosed
US-20150368270-A1 FLAP MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2015-12-24 US disclosed
US-20150252008-A1 FLAP MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2015-09-10 US disclosed
US-9073876-B2 Flap modulators JANSSEN PHARMACEUTICA NV (BE) 2015-07-07 US disclosed
US-20140221310-A1 FLAP MODULATORS JANSSEN PHARMACEUTICA NV (US) 2014-08-07 US disclosed
US-20070203209-A1 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. 2007-08-30 US disclosed
US-20070203209-A1 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. 2007-08-30 US disclosed
WO-2007022501-A2 USEFUL INDOLE COMPOUNDS MICROBIA, INC. (US) 2007-02-22 WO 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-20170202970-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME CD44, MSN, AS3MT ADORA2A 4582/4885ADORA1 4484/4885CDK8 881/4885
US-20170327514-A1 FLAP MODULATORS FEN1, PGF, TBXA2R ADORA2A 39/4885ADORA1 50/4885CDK8 1875/4885
US-20230322803-A1 SUBSTITUTED OXOISOINDOLINE COMPOUNDS FOR THE TREATMENT OF CANCER DDX21, HRAS, RPL17 ADORA2A 4573/4885ADORA1 4623/4885CDK8 871/4885
US-20140221310-A1 FLAP MODULATORS FEN1, PGF, PTGIS ADORA2A 38/4885ADORA1 53/4885CDK8 1708/4885
US-20150368270-A1 FLAP MODULATORS FEN1, PGF, TBXA2R ADORA2A 39/4885ADORA1 50/4885CDK8 1875/4885
US-11230544-B1 Substituted 1,3,4-thiadiazoles as GLS1 inhibitors GLS2, GLS, GYS2 ADORA2A 2651/4885ADORA1 1805/4885CDK8 473/4885
US-20240024488-A1 COMPOUNDS AND USES THEREOF VHL, CLN6, TFEB ADORA2A 3658/4885ADORA1 4282/4885CDK8 1753/4885
US-20070203209-A1 Useful indole compounds TPH2, HRH2, HRH1 ADORA2A 263/4885ADORA1 498/4885CDK8 1185/4885
US-20150252008-A1 FLAP MODULATORS FEN1, PGF, PTGIS ADORA2A 38/4885ADORA1 53/4885CDK8 1708/4885

“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.