SCHEMBL3884342

SCHEMBL3884342

O=C(O)Nc1cc2c(ccn2-c2ccc([N+](=O)[O-])cc2)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 1/20 0.42
▸ MAPT P10636 6/20 0.40
▸ NPC1 O15118 4/20 0.40
▸ RAB9A P51151 4/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ GAA P10253 2/20 0.40
▸ TDP1 Q9NUW8 3/20 0.39
▸ CDC7 O00311 1/20 0.39
▸ POLB P06746 3/20 0.38
▸ ALDH1A1 P00352 5/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ PSMD14 O00487 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL3884332 1.00 PTK2 (0.42) PTK2MAPTNPC1RAB9ACYP1A2
SCHEMBL3891362 0.84 ALDH1A1 (0.49) PTK2MAPTNPC1RAB9ACYP1A2
SCHEMBL3880151 0.83 MAP3K5 (0.40) PTK2MAPTCDC7FGFR1MAP3K5
SCHEMBL3882558 0.73 ALDH1A1 (0.45) PTK2MAPTTDP1CDC7ALDH1A1
SCHEMBL9508601 0.72 SRC (0.42) MAPTGAACDC7ALDH1A1SMN1; SMN2
SCHEMBL477396 0.71 CYP1A2 (0.73) MAPTNPC1RAB9ACYP1A2GAA
SCHEMBL477394 0.71 CYP1A2 (0.73) MAPTNPC1RAB9ACYP1A2GAA
SCHEMBL257518 0.70 SLC6A2 (0.49) PTK2MAPTCYP1A2CDC7ALDH1A1
SCHEMBL25432780 0.68 ALDH1A1 (0.47) MAPTNPC1RAB9ATDP1POLB
SCHEMBL5659157 0.68 BIRC5 (0.47) MAPTNPC1CYP1A2TDP1CDC7

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 4 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
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 PTK2 435/4885MAPT 3582/4885NPC1 2416/4885

“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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