SCHEMBL13013485

SCHEMBL13013485

O=C(Nc1ccncc1F)c1ccc2c(Nc3cccc(Br)n3)cc(Cl)nn12

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 11/20 0.41
▸ GAA P10253 1/20 0.34
▸ TGFBR2 P37173 2/20 0.34
▸ ROCK2 O75116 4/20 0.33
▸ F10 P00742 1/20 0.33

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
SCHEMBL13745081 0.90 TGFBR1 (0.41) TGFBR1TGFBR2ROCK2F10
SCHEMBL3719028 0.87 TGFBR1 (0.34) TGFBR1GAAROCK2F10
SCHEMBL13013500 0.82 TGFBR1 (0.36) TGFBR1TGFBR2
SCHEMBL13013521 0.81 TGFBR1 (0.39) TGFBR1
SCHEMBL13013506 0.80 TGFBR1 (0.37) TGFBR1TGFBR2F10
SCHEMBL13062608 0.80 TGFBR1 (0.35) TGFBR1TGFBR2ROCK2
SCHEMBL13013480 0.76 PIM1 (0.41) TGFBR1TGFBR2ROCK2
SCHEMBL13013512 0.73 TGFBR1 (0.32) TGFBR1
SCHEMBL13013499 0.73 PIM1 (0.38) TGFBR1ROCK2
SCHEMBL3721115 0.71 GAA (0.38) GAAROCK2F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100323994-A1 SUBSTITUTED IMIDAZOPYRIDAZINES USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-12-23 — — US disclosed
US-20100323994-A1 SUBSTITUTED IMIDAZOPYRIDAZINES USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-12-23 — — 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-20100323994-A1 SUBSTITUTED IMIDAZOPYRIDAZINES USEFUL AS KINASE INHIBITORS MAP3K5, MAP4K2, MAP3K15 TGFBR1 2134/4885GAA 2669/4885TGFBR2 2835/4885

“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.

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