SCHEMBL21177487

SCHEMBL21177487

C=C(C)c1ccc(-c2ccc(F)cc2)nc1Nc1ccnc2[nH]ccc12

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 11/20 0.44
TGFBR2 P37173 9/20 0.44
ROCK1 Q13464 1/20 0.43
MAPK14 Q16539 5/20 0.39
CSNK1D P48730 2/20 0.39
MAPK11 Q15759 1/20 0.39
EGFR P00533 2/20 0.37
MAPK1 P28482 1/20 0.37
MET P08581 1/20 0.37
NPC1 O15118 1/20 0.35
CASP3 P42574 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 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
SCHEMBL21179357 0.81 TGFBR1 (0.43) TGFBR1TGFBR2ROCK1MAPK14CSNK1D
SCHEMBL21177441 0.81 TGFBR1 (0.45) TGFBR1TGFBR2ROCK1MAPK14CSNK1D
SCHEMBL21179409 0.71 TGFBR1 (0.46) TGFBR1TGFBR2ROCK1MAPK14CSNK1D
SCHEMBL858107 0.70 TTBK1 (0.51) TGFBR1TGFBR2ROCK1MAPK14CSNK1D
SCHEMBL21177797 0.69 TGFBR1 (0.46) TGFBR1TGFBR2ROCK1MAPK14CSNK1D
SCHEMBL22270341 0.67 TGFBR1 (0.44) TGFBR1ROCK1
SCHEMBL16879672 0.66 TGFBR1 (0.66) TGFBR1
SCHEMBL21189995 0.65 PIK3CG (0.35) TGFBR1TGFBR2MAPK14CSNK1DEGFR
SCHEMBL21190172 0.65 NPC1 (0.46) NPC1CASP3RAB9ASMN1; SMN2SENP8
SCHEMBL12127926 0.64 IKBKB (0.70) ROCK1MAPK14CSNK1DMAPK11EGFR

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 27/4885TGFBR2 41/4885ROCK1 159/4885

“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.