SCHEMBL21177207

SCHEMBL21177207

CC(C)c1cnc(-c2cc(Cl)ccc2F)nc1Nc1ccnc2[nH]ccc12

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 18/20 0.52
ACVR1B P36896 4/20 0.52
ACVRL1 P37023 4/20 0.52
ACVR1 Q04771 2/20 0.52
BMPR1A P36894 1/20 0.52
AKT1 P31749 1/20 0.42
CYP3A4 P08684 3/20 0.41
ROCK1 Q13464 1/20 0.41
TGFBR2 P37173 4/20 0.41
CYP1A2 P05177 2/20 0.40

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
SCHEMBL16879405 0.82 TGFBR1 (0.69) TGFBR1ACVR1BACVRL1ACVR1BMPR1A
SCHEMBL8345867 0.82 TGFBR1 (0.51) TGFBR1ACVR1BACVRL1ACVR1BMPR1A
SCHEMBL21179409 0.81 TGFBR1 (0.46) TGFBR1BMPR1AROCK1TGFBR2
SCHEMBL8345664 0.79 TGFBR1 (0.48) TGFBR1ACVR1BACVRL1ACVR1BMPR1A
SCHEMBL21177796 0.78 ROCK1 (0.46) TGFBR1ACVR1BMPR1AROCK1TGFBR2
SCHEMBL21190239 0.78 TGFBR1 (0.48) TGFBR1ACVR1BACVRL1ACVR1BMPR1A
SCHEMBL8344433 0.78 TGFBR1 (0.70) TGFBR1ACVR1BACVRL1ACVR1BMPR1A
SCHEMBL21189998 0.77 ROCK1 (0.48) TGFBR1BMPR1AROCK1TGFBR2
SCHEMBL21189980 0.77 ROCK2 (0.44) TGFBR1ACVR1BROCK1
SCHEMBL8347154 0.77 TGFBR1 (0.70) 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.