SCHEMBL21177222

SCHEMBL21177222

CC(C)c1cnc(-c2ccc(F)cc2)cc1Nc1ccnc2[nH]cc(C(=O)C(N)=O)c12

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 16/20 0.46
ACVR1B P36896 9/20 0.44
ACVRL1 P37023 8/20 0.42
ACVR1 Q04771 2/20 0.42
BMPR1A P36894 1/20 0.42
MAPK8 P45983 1/20 0.36
PIK3CG P48736 1/20 0.36
CAMKK2 Q96RR4 1/20 0.36
HDAC1 Q13547 2/20 0.35
HDAC2 Q92769 2/20 0.35
PDPK1 O15530 1/20 0.33

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
Hydrochloric Acid SCHEMBL21177245 0.99 TGFBR1 (0.45) TGFBR1ACVR1BACVRL1ACVR1BMPR1A
SCHEMBL21177451 0.91 TGFBR1 (0.43) TGFBR1ACVR1BACVRL1ACVR1BMPR1A
SCHEMBL21177221 0.91 TGFBR1 (0.44) TGFBR1ACVR1BACVRL1ACVR1BMPR1A
Hydrochloric Acid SCHEMBL21177466 0.90 TGFBR1 (0.42) TGFBR1ACVR1BACVRL1ACVR1BMPR1A
SCHEMBL22052992 0.86 TGFBR1 (0.44) TGFBR1ACVR1BACVRL1ACVR1BMPR1A
SCHEMBL21177267 0.84 PIK3CG (0.37) TGFBR1ACVR1MAPK8PIK3CGCAMKK2
SCHEMBL21190041 0.84 TGFBR1 (0.68) TGFBR1ACVR1BACVRL1ACVR1BMPR1A
Hydrochloric Acid SCHEMBL21177462 0.84 PIK3CG (0.37) TGFBR1ACVR1MAPK8PIK3CGCAMKK2
SCHEMBL21177489 0.83 SCN9A (0.35) TGFBR1ACVR1MAPK8PIK3CGCAMKK2
Hydrochloric Acid SCHEMBL21177477 0.83 SCN9A (0.35) TGFBR1ACVR1MAPK8PIK3CGCAMKK2

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 5 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 claimed
WO-2019142128-A1 DUAL INHIBITORS OF ALK5 AND P38Α MAP KINASE INTEGRAL BIOSCIENCES PRIVATE LIMITED (IN) 2019-07-25 WO claimed
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.