SCHEMBL21179409

SCHEMBL21179409

CC(C)c1cnc(-c2ccc(F)cc2)nc1Nc1ccnc2[nH]ccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 10/20 0.46
TGFBR2 P37173 8/20 0.46
ROCK1 Q13464 2/20 0.46
MAPK14 Q16539 3/20 0.41
CSNK1D P48730 1/20 0.41
MAPK11 Q15759 1/20 0.41
EGFR P00533 2/20 0.39
ROCK2 O75116 3/20 0.39
CIT O14578 2/20 0.39
PRKD3 O94806 1/20 0.39
MAP4K4 O95819 1/20 0.39
PRKCB P05771 1/20 0.39
PRKCA P17252 1/20 0.39
PRKACA P17612 1/20 0.39
CSNK2A2 P19784 1/20 0.39
MARK3 P27448 1/20 0.39
BMPR1A P36894 1/20 0.39
CSNK1A1 P48729 1/20 0.39
CLK1 P49759 1/20 0.39
GSK3A P49840 1/20 0.39

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
SCHEMBL21189998 0.91 ROCK1 (0.48) TGFBR1TGFBR2ROCK1ROCK2CIT
SCHEMBL21189993 0.90 ROCK1 (0.45) TGFBR1TGFBR2ROCK1ROCK2CIT
SCHEMBL21177796 0.90 ROCK1 (0.46) TGFBR1TGFBR2ROCK1MAPK14EGFR
SCHEMBL21190155 0.88 ROCK1 (0.43) TGFBR1TGFBR2ROCK1ROCK2CIT
SCHEMBL21177441 0.86 TGFBR1 (0.45) TGFBR1TGFBR2ROCK1MAPK14CSNK1D
SCHEMBL21189996 0.83 PIK3CA (0.45) TGFBR1TGFBR2EGFRPRKCQPRKCD
SCHEMBL21177207 0.81 TGFBR1 (0.52) TGFBR1TGFBR2ROCK1BMPR1A
SCHEMBL21177797 0.80 TGFBR1 (0.46) TGFBR1TGFBR2ROCK1MAPK14CSNK1D
SCHEMBL21177249 0.80 USP1 (0.34) TGFBR1TGFBR2ROCK1ROCK2CDC42BPB
SCHEMBL21190032 0.76 MAPK8 (0.38) TGFBR1ROCK1CSNK1DROCK2PRKD3

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.