SCHEMBL17840803

SCHEMBL17840803

COc1ccc(-c2c(-c3ccnc(NC(=O)CN4CCN(C)CC4)c3)[nH]c3cc(Cl)cnc23)nc1C

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 8/20 0.46
TGFBR2 P37173 6/20 0.46
GSK3B P49841 9/20 0.41
DYRK1A Q13627 9/20 0.41
WNT1 P04628 5/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
FGFR3 P22607 1/20 0.39
AAK1 Q2M2I8 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
SCHEMBL17840617 0.88 TGFBR1 (0.57) TGFBR1TGFBR2GSK3BDYRK1AWNT1
SCHEMBL17840810 0.88 TGFBR1 (0.51) TGFBR1TGFBR2AAK1
SCHEMBL17863799 0.87 TGFBR1 (0.56) TGFBR1TGFBR2GSK3BDYRK1AWNT1
SCHEMBL17840681 0.85 TGFBR1 (0.63) TGFBR1TGFBR2AAK1
SCHEMBL17840657 0.85 TGFBR1 (0.56) TGFBR1TGFBR2GSK3BDYRK1AWNT1
SCHEMBL17840699 0.84 TGFBR1 (0.57) TGFBR1TGFBR2GSK3BDYRK1AWNT1
SCHEMBL17840548 0.83 TGFBR1 (0.60) TGFBR1TGFBR2GSK3BDYRK1AWNT1
SCHEMBL17863817 0.83 TGFBR1 (0.47) TGFBR1TGFBR2GSK3BDYRK1AWNT1
SCHEMBL17840954 0.82 TGFBR1 (0.56) TGFBR1TGFBR2KDM4EALDH1A1HPGD
SCHEMBL17840955 0.82 TGFBR1 (0.57) TGFBR1TGFBR2GSK3BDYRK1AWNT1

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 1/4885GSK3B 33/4885

“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.