SCHEMBL17840899

SCHEMBL17840899

CC(=O)Nc1cc(-c2[nH]c3c(C)ccnc3c2-c2csc(C)n2)ccn1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 11/20 0.55
TGFBR2 P37173 8/20 0.55
PIK3C3 Q8NEB9 3/20 0.41
BUB1 O43683 2/20 0.41
MAPK14 Q16539 3/20 0.40
GSK3B P49841 2/20 0.40
KDM4A O75164 1/20 0.40
KDM4B O94953 1/20 0.40
KDM5C P41229 1/20 0.40
KDM5B Q9UGL1 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
SCHEMBL17840822 0.85 TGFBR1 (0.75) TGFBR1TGFBR2BUB1MAPK14
SCHEMBL17840616 0.83 TGFBR1 (0.64) TGFBR1TGFBR2PIK3C3BUB1MAPK14
SCHEMBL17840783 0.82 TGFBR1 (0.64) TGFBR1TGFBR2PIK3C3BUB1MAPK14
SCHEMBL17840752 0.81 TGFBR1 (0.63) TGFBR1TGFBR2PIK3C3BUB1MAPK14
SCHEMBL17840599 0.81 TGFBR1 (0.74) TGFBR1TGFBR2PIK3C3BUB1
SCHEMBL17840710 0.81 TGFBR1 (0.76) TGFBR1TGFBR2BUB1MAPK14GSK3B
SCHEMBL17840747 0.81 TGFBR1 (0.54) TGFBR1TGFBR2PIK3C3BUB1MAPK14
SCHEMBL17840682 0.81 TGFBR1 (0.54) TGFBR1TGFBR2PIK3C3BUB1MAPK14
SCHEMBL17840726 0.80 TGFBR1 (0.51) TGFBR1TGFBR2PIK3C3BUB1
SCHEMBL17840537 0.80 TGFBR1 (0.64) 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
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
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.