SCHEMBL21179357

SCHEMBL21179357

C=C(C)c1cnc(-c2ccc(F)cc2)cc1Nc1ccnc2[nH]ccc12

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 18/20 0.43
ACVR1B P36896 12/20 0.43
ACVRL1 P37023 8/20 0.43
ACVR1 Q04771 2/20 0.43
BMPR1A P36894 1/20 0.43
TGFBR2 P37173 1/20 0.39
CSNK1D P48730 1/20 0.39
MAPK11 Q15759 1/20 0.39
MAPK14 Q16539 1/20 0.39
ROCK1 Q13464 1/20 0.38

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
SCHEMBL22270341 0.83 TGFBR1 (0.44) TGFBR1ACVR1BACVRL1ACVR1BMPR1A
SCHEMBL16879672 0.82 TGFBR1 (0.66) TGFBR1ACVR1BACVRL1ACVR1BMPR1A
SCHEMBL21177797 0.82 TGFBR1 (0.46) TGFBR1ACVR1BACVRL1ACVR1BMPR1A
SCHEMBL21177487 0.81 TGFBR1 (0.44) TGFBR1TGFBR2CSNK1DMAPK11MAPK14
SCHEMBL16879863 0.71 TGFBR1 (0.73) TGFBR1ACVR1BACVRL1ACVR1
SCHEMBL16879247 0.71 TGFBR1 (0.73) TGFBR1ACVR1BACVRL1ACVR1
SCHEMBL858107 0.70 TTBK1 (0.51) TGFBR1ACVR1BACVRL1ACVR1BMPR1A
SCHEMBL21177441 0.68 TGFBR1 (0.45) TGFBR1BMPR1ATGFBR2CSNK1DMAPK11
SCHEMBL16879588 0.68 TDO2 (0.40) MAPK14ROCK1
SCHEMBL16879809 0.67 TGFBR1 (0.56) TGFBR1ACVR1BACVRL1ACVR1BMPR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200171030-A1 DUAL INHIBITORS OF ALK5 AND P38A MAP KINASE INTEGRAL BIOSCIENCES PRIVATE LTD (IN) 2020-06-04 US disclosed
US-20200171030-A1 DUAL INHIBITORS OF ALK5 AND P38A MAP KINASE INTEGRAL BIOSCIENCES PRIVATE LTD (IN) 2020-06-04 US disclosed
WO-2019142128-A1 DUAL INHIBITORS OF ALK5 AND P38Α MAP KINASE INTEGRAL BIOSCIENCES PRIVATE LIMITED (IN) 2019-07-25 WO disclosed
WO-2019142128-A1 DUAL INHIBITORS OF ALK5 AND P38Α MAP KINASE INTEGRAL BIOSCIENCES PRIVATE LIMITED (IN) 2019-07-25 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 (1 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-20200171030-A1 DUAL INHIBITORS OF ALK5 AND P38A MAP KINASE MAP2K2, MAP2K5, MAP2K1 TGFBR1 27/4885ACVR1B 61/4885ACVRL1 59/4885

“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.