SCHEMBL21177441

SCHEMBL21177441

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 8/20 0.45
TGFBR2 P37173 8/20 0.45
ROCK1 Q13464 2/20 0.45
MAPK14 Q16539 5/20 0.40
CSNK1D P48730 2/20 0.40
MAPK11 Q15759 1/20 0.40
EGFR P00533 2/20 0.39
MAPK1 P28482 1/20 0.38
CIT O14578 2/20 0.38
TNNI3K Q59H18 1/20 0.38
PIK3CA P42336 1/20 0.36
PIK3CG P48736 1/20 0.36
ROCK2 O75116 2/20 0.36
PRKD3 O94806 1/20 0.36
MAP4K4 O95819 1/20 0.36
PRKCB P05771 1/20 0.36
PRKCA P17252 1/20 0.36
PRKACA P17612 1/20 0.36
CSNK2A2 P19784 1/20 0.36
MARK3 P27448 1/20 0.36

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
SCHEMBL21179409 0.86 TGFBR1 (0.46) TGFBR1TGFBR2ROCK1MAPK14CSNK1D
SCHEMBL21177797 0.81 TGFBR1 (0.46) TGFBR1TGFBR2ROCK1MAPK14CSNK1D
SCHEMBL21177487 0.81 TGFBR1 (0.44) TGFBR1TGFBR2ROCK1MAPK14CSNK1D
SCHEMBL21189995 0.77 PIK3CG (0.35) TGFBR1TGFBR2MAPK14CSNK1DEGFR
SCHEMBL21189998 0.77 ROCK1 (0.48) TGFBR1TGFBR2ROCK1CITTNNI3K
SCHEMBL21189993 0.76 ROCK1 (0.45) TGFBR1TGFBR2ROCK1CITTNNI3K
SCHEMBL21177796 0.76 ROCK1 (0.46) TGFBR1TGFBR2ROCK1MAPK14EGFR
SCHEMBL21177267 0.76 PIK3CG (0.37) TGFBR1ROCK1CSNK1DPIK3CAPIK3CG
Hydrochloric Acid SCHEMBL21177462 0.75 PIK3CG (0.37) TGFBR1ROCK1CSNK1DPIK3CAPIK3CG
SCHEMBL21190155 0.74 ROCK1 (0.43) TGFBR1TGFBR2ROCK1MAPK1CIT

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.