SCHEMBL3881276

SCHEMBL3881276

Nc1nccc2c1ccn2-c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CDC7 O00311 1/20 0.47
▸ XDH P47989 1/20 0.46
▸ MAPT P10636 3/20 0.44
▸ ALDH1A1 P00352 2/20 0.39
▸ HTT P42858 1/20 0.38
▸ ROCK1 Q13464 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ KAT2B Q92831 2/20 0.38
▸ FGFR1 P11362 1/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ CYP1A2 P05177 2/20 0.37
▸ CYP19A1 P11511 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ PLEC Q15149 1/20 0.36

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
SCHEMBL2889145 0.78 XDH (0.43) CDC7XDHMAPTALDH1A1HTT
SCHEMBL5390679 0.73 MAPT (0.47) CDC7XDHMAPTALDH1A1HTT
SCHEMBL5109303 0.71 GAA (0.46) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL5309437 0.70 HTT (0.39) CDC7MAPTALDH1A1HTTFGFR1
SCHEMBL28017553 0.70 MAPT (0.54) XDHMAPTALDH1A1HTTLMNA
SCHEMBL8685093 0.69 ALDH1A1 (0.48) MAPTALDH1A1HTTLMNAFGFR1
SCHEMBL5819432 0.69 XDH (0.43) XDHMAPTALDH1A1HTTROCK1
SCHEMBL3420797 0.69 FFAR4 (0.44) MAPTALDH1A1HTTLMNAMEN1
SCHEMBL257518 0.67 SLC6A2 (0.49) CDC7MAPTALDH1A1HTTFGFR1
SCHEMBL2857970 0.67 ROCK1 (0.50) CDC7ALDH1A1HTTROCK1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7566784-B2 Bicyclic heterocycles as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-07-28 — — US disclosed
US-7566784-B2 Bicyclic heterocycles as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-07-28 — — US disclosed
EP-1742948-A2 BICYCLIC HETEROCYCLES AS KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2007-01-17 — — EP disclosed
WO-2005116028-A2 BICYCLIC HETEROCYCLES AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-12-08 — — WO disclosed
US-20050239820-A1 Bicyclic heterocycles as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-10-27 — — 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-20050239820-A1 Bicyclic heterocycles as kinase inhibitors CDK2, ABL1, CDKN1A CDC7 101/4885XDH 3560/4885MAPT 3582/4885

“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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