SCHEMBL4560776

SCHEMBL4560776

NC(=O)c1nn(-c2ccccc2)c2ccccc12

nearest known ligand 0.76

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 5/20 0.76
ELANE P08246 2/20 0.60
KMT2A Q03164 2/20 0.55
MAPT P10636 1/20 0.53
CASP1 P29466 1/20 0.53
MAP3K14 Q99558 9/20 0.53
RORC P51449 1/20 0.51
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
HSD17B10 Q99714 1/20 0.49

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
SCHEMBL30695134 1.00 SCN9A (0.76) SCN9AELANEKMT2AMAPTCASP1
SCHEMBL14518066 0.90 SCN9A (0.64) SCN9AELANEKMT2AMAPTCASP1
SCHEMBL15882042 0.88 SCN9A (0.69) SCN9AELANEKMT2AMAPTCASP1
SCHEMBL9988378 0.87 SCN9A (1.00) SCN9AELANEKMT2AMAPTCASP1
SCHEMBL7421574 0.86 SCN9A (0.58) SCN9AMAPTRORCKDM4EALDH1A1
SCHEMBL28349333 0.85 SCN9A (0.59) SCN9AELANEMAP3K14
SCHEMBL16517440 0.84 SCN9A (0.57) SCN9AELANEMAP3K14
SCHEMBL30668595 0.82 SCN9A (0.59) SCN9AELANEMAP3K14
SCHEMBL31175792 0.81 SCN9A (0.61) SCN9AELANEMAP3K14
SCHEMBL30142275 0.80 SCN9A (0.56) SCN9AELANEMAP3K14

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
CN-105408321-B Indoles and azole derivatives, their preparation method and the pharmaceutical composition containing them 法国施维雅药厂 2019-03-08 CN disclosed
US-7482342-B2 Indazolecarboxamide derivatives, preparation and use thereof as CDK1, CDK2 and CDK4 inhibitors SANOFI-AVENTIS (FR) 2009-01-27 US disclosed
US-20060004000-A1 Indazolecarboxamide derivatives, preparation and use thereof as CDK1, CDK2 and CDK4 inhibitors SANOFI-AVENTIS (FR) 2006-01-05 US disclosed
US-6458781-B1 BLOCKERS CALCIUM CHANNEL ANTAGONISTS FOR STROKES, BRAIN DISORDERS WARNER-LAMBERT COMPANY 2002-10-01 US disclosed
WO-1999055688-A1 SUBSTITUTED DIARYLALKYL AMIDES AS CALCIUM CHANNEL ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1999-11-04 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-20060004000-A1 Indazolecarboxamide derivatives, preparation and use thereof as CDK1, CDK2 and CDK4 inhibitors CDK2, CDK1, CDK4 SCN9A 3105/4885ELANE 3434/4885KMT2A 289/4885

“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.