SCHEMBL17840694

SCHEMBL17840694

COc1ccc(-c2c(-c3ccnc(NC(C)=O)c3)[nH]c3c(Cl)ccnc23)cn1

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 11/20 0.73
TGFBR2 P37173 8/20 0.73
PIK3C3 Q8NEB9 8/20 0.43
CYP3A4 P08684 1/20 0.41
AAK1 Q2M2I8 1/20 0.41

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
SCHEMBL17840600 0.90 TGFBR1 (0.74) TGFBR1TGFBR2PIK3C3CYP3A4AAK1
SCHEMBL17840939 0.90 TGFBR1 (0.74) TGFBR1TGFBR2PIK3C3CYP3A4AAK1
SCHEMBL17840965 0.89 TGFBR1 (0.73) TGFBR1TGFBR2PIK3C3
SCHEMBL17840678 0.87 TGFBR1 (0.70) TGFBR1TGFBR2PIK3C3CYP3A4AAK1
SCHEMBL17840722 0.87 TGFBR1 (0.73) TGFBR1TGFBR2PIK3C3CYP3A4AAK1
SCHEMBL17840781 0.86 TGFBR1 (0.69) TGFBR1TGFBR2PIK3C3CYP3A4AAK1
SCHEMBL17840912 0.86 TGFBR1 (0.69) TGFBR1TGFBR2PIK3C3
SCHEMBL17840821 0.86 TGFBR1 (0.69) TGFBR1TGFBR2PIK3C3CYP3A4AAK1
SCHEMBL17840591 0.86 TGFBR1 (0.69) TGFBR1TGFBR2PIK3C3AAK1
SCHEMBL17840889 0.86 TGFBR1 (0.69) TGFBR1TGFBR2PIK3C3CYP3A4AAK1

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 9 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
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
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 1/4885PIK3C3 2608/4885

“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.