SCHEMBL21177221

SCHEMBL21177221

COC(=O)C(=O)c1c[nH]c2nccc(Nc3cc(-c4ccc(F)cc4)ncc3C(C)C)c12

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 15/20 0.44
ACVR1B P36896 9/20 0.43
ACVRL1 P37023 8/20 0.40
ACVR1 Q04771 2/20 0.39
BMPR1A P36894 1/20 0.39
MAPK8 P45983 3/20 0.37
CAMKK2 Q96RR4 3/20 0.37
PIK3CG P48736 2/20 0.37
GSK3B P49841 2/20 0.35
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL21177222 0.91 TGFBR1 (0.46) TGFBR1ACVR1BACVRL1ACVR1BMPR1A
Hydrochloric Acid SCHEMBL21177245 0.90 TGFBR1 (0.45) TGFBR1ACVR1BACVRL1ACVR1BMPR1A
SCHEMBL21177451 0.89 TGFBR1 (0.43) TGFBR1ACVR1BACVRL1ACVR1BMPR1A
Hydrochloric Acid SCHEMBL21177466 0.89 TGFBR1 (0.42) TGFBR1ACVR1BACVRL1ACVR1BMPR1A
SCHEMBL22052992 0.85 TGFBR1 (0.44) TGFBR1ACVR1BACVRL1ACVR1BMPR1A
SCHEMBL21177216 0.85 MAPK8 (0.38) TGFBR1MAPK8CAMKK2PIK3CGGSK3B
SCHEMBL21177224 0.84 MAPK8 (0.35) MAPK8CAMKK2PIK3CGGSK3BHDAC1
SCHEMBL21987108 0.76 JAK2 (0.38) MAPK8CAMKK2PIK3CGGSK3B
SCHEMBL21177212 0.76 CAMKK2 (0.36) TGFBR1ACVR1BMAPK8CAMKK2PIK3CG
SCHEMBL21177267 0.76 PIK3CG (0.37) TGFBR1ACVR1MAPK8CAMKK2PIK3CG

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.