SCHEMBL17840681

SCHEMBL17840681

COc1ccc(-c2c(-c3ccnc(NC(C)=O)c3)[nH]c3cc(Cl)cnc23)nc1C

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 11/20 0.63
TGFBR2 P37173 8/20 0.63
CSF1R P07333 1/20 0.41
PDGFRB P09619 1/20 0.41
PDGFRA P16234 1/20 0.41
PIK3C3 Q8NEB9 5/20 0.40
AAK1 Q2M2I8 3/20 0.39
CYP3A4 P08684 1/20 0.39
GAK O14976 1/20 0.39
HTR2B P41595 1/20 0.39
DAPK1 P53355 1/20 0.39
KCNH2 Q12809 1/20 0.39
MKNK1 Q9BUB5 1/20 0.39
MYLK2 Q9H1R3 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
BMP2K Q9NSY1 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
SCHEMBL17840594 0.92 TGFBR1 (0.64) TGFBR1TGFBR2PIK3C3AAK1CYP3A4
SCHEMBL17840810 0.91 TGFBR1 (0.51) TGFBR1TGFBR2AAK1GAKHTR2B
SCHEMBL17863794 0.89 TGFBR1 (0.67) TGFBR1TGFBR2PIK3C3
SCHEMBL17840760 0.88 TGFBR1 (0.73) TGFBR1TGFBR2CSF1RPDGFRBPDGFRA
SCHEMBL17840930 0.86 TGFBR1 (0.78) TGFBR1TGFBR2PIK3C3
SCHEMBL17840803 0.85 TGFBR1 (0.46) TGFBR1TGFBR2AAK1
SCHEMBL17840566 0.85 TGFBR1 (0.83) TGFBR1TGFBR2PIK3C3
SCHEMBL17840629 0.85 TGFBR1 (0.64) TGFBR1TGFBR2PIK3C3
SCHEMBL17863744 0.85 TGFBR1 (0.77) TGFBR1TGFBR2PIK3C3
SCHEMBL17840658 0.84 TGFBR1 (0.78) TGFBR1TGFBR2PIK3C3

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 1/4885CSF1R 103/4885

“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.