SCHEMBL17840835

SCHEMBL17840835

COc1ccc(-c2c(-c3ccnc(NC(=O)CCl)c3)[nH]c3cccnc23)cn1

nearest known ligand 0.80

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 11/20 0.80
TGFBR2 P37173 8/20 0.80
MAPK14 Q16539 5/20 0.50
PRKD1 Q15139 1/20 0.48
MAPK13 O15264 1/20 0.48
MAPK12 P53778 1/20 0.48
MAPK11 Q15759 1/20 0.48
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
RAF1 P04049 2/20 0.43
DYRK1A Q13627 1/20 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
SCHEMBL17840603 0.90 TGFBR1 (0.64) TGFBR1TGFBR2MAPK14PRKD1MAPK13
SCHEMBL17863809 0.89 TGFBR1 (0.65) TGFBR1TGFBR2MAPK14PRKD1MAPK13
SCHEMBL17840684 0.89 TGFBR1 (1.00) TGFBR1TGFBR2MAPK14PRKD1MAPK13
SCHEMBL17840958 0.89 TGFBR1 (0.86) TGFBR1TGFBR2MAPK14PRKD1MAPK13
SCHEMBL17840768 0.86 TGFBR1 (0.72) TGFBR1TGFBR2MAPK14PRKD1MAPK13
SCHEMBL17840654 0.86 TGFBR1 (0.80) TGFBR1TGFBR2MAPK14PRKD1MAPK13
SCHEMBL17840626 0.85 TGFBR1 (0.71) TGFBR1TGFBR2MAPK14PRKD1MAPK13
SCHEMBL17840870 0.85 TGFBR1 (0.70) TGFBR1TGFBR2MAPK14PRKD1MAPK13
SCHEMBL17840735 0.81 TGFBR1 (0.84) TGFBR1TGFBR2RAF1DYRK1A
SCHEMBL17840702 0.79 TGFBR1 (0.78) TGFBR1TGFBR2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3237415-A1 TGF RECEPTOR ANTAGONISTS Bristol-Myers Squibb Company (US) 2017-11-01 EP disclosed
US-9708316-B2 TGFβR antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2017-07-18 US disclosed
US-9708316-B2 TGFβR antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2017-07-18 US disclosed
WO-2016106266-A1 TGFβ RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-06-30 WO disclosed
WO-2016106266-A1 TGFβ RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-06-30 WO disclosed
US-20160176871-A1 TGF BETA R ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2016-06-23 US disclosed
US-20160176871-A1 TGF BETA R ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2016-06-23 US 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-20160176871-A1 TGF BETA R ANTAGONISTS TGFBR2, TGFBR1, TGFB1 TGFBR1 2/4885TGFBR2 1/4885MAPK14 2316/4885

“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.