SCHEMBL19806325

SCHEMBL19806325

Cc1cccc(-c2n[nH]cc2-c2ccc3[nH]ncc3c2)n1

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 14/20 0.68
TRPA1 O75762 6/20 0.52
MAPK14 Q16539 7/20 0.49
CYP2D6 P10635 3/20 0.48
CYP2C9 P11712 3/20 0.48
CYP2C19 P33261 3/20 0.48
CYP1A2 P05177 1/20 0.48

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
SCHEMBL13680563 0.82 TGFBR1 (0.77) TGFBR1TRPA1MAPK14CYP2D6CYP2C9
SCHEMBL21083357 0.81 TGFBR1 (1.00) TGFBR1TRPA1MAPK14CYP2D6CYP2C9
SCHEMBL15640134 0.81 TGFBR1 (0.72) TGFBR1TRPA1MAPK14
SCHEMBL5199431 0.78 TGFBR1 (0.48) TGFBR1MAPK14CYP2D6CYP2C9CYP2C19
SCHEMBL5492614 0.78 TGFBR1 (0.58) TGFBR1MAPK14CYP2D6CYP2C9CYP2C19
SCHEMBL28758711 0.77 TGFBR1 (0.45) TGFBR1MAPK14
SCHEMBL30099394 0.77 TGFBR1 (0.41) TGFBR1MAPK14CYP2D6CYP2C9CYP2C19
SCHEMBL27648484 0.76 TGFBR1 (0.52) TGFBR1MAPK14
SCHEMBL5139942 0.76 TGFBR1 (0.58) TGFBR1MAPK14
SCHEMBL29832794 0.76 TGFBR1 (0.58) TGFBR1MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190292179-A1 TGF Beta RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2019-09-26 US disclosed
US-20190292179-A1 TGF Beta RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2019-09-26 US disclosed
WO-2018017633-A1 TGF Beta RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-01-25 WO 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-20190292179-A1 TGF Beta RECEPTOR ANTAGONISTS TGFBR1, TGFBR2, TGFB1 TGFBR1 1/4885TRPA1 1759/4885MAPK14 2427/4885

“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.