SCHEMBL13055283

SCHEMBL13055283

O=c1[nH][nH]c2cc(NC3CCCC(Nc4cc(C5CC5)[nH]n4)C3)ccc12

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 3/20 0.41
▸ CCNA2 P20248 9/20 0.38
▸ CDK2 P24941 9/20 0.38
▸ CCNA1 P78396 9/20 0.38
▸ KDM4E B2RXH2 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ APAF1 O14727 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ BLM P54132 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ ULK1 O75385 2/20 0.35
▸ PDK1 Q15118 1/20 0.35
▸ ULK2 Q8IYT8 1/20 0.35
▸ IP6K1 Q92551 1/20 0.35

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
SCHEMBL13055303 0.97 CCNA2 (0.38) ARCCNA2CDK2CCNA1
SCHEMBL13055292 0.91 CCNA2 (0.36) ARCCNA2CDK2CCNA1ULK1
SCHEMBL13055351 0.84 ROCK1 (0.42) CCNA2CDK2CCNA1
SCHEMBL13055368 0.83 CDK2 (0.37) CCNA2CDK2CCNA1
SCHEMBL13055326 0.83 CDK2 (0.35) CCNA2CDK2CCNA1
SCHEMBL13055361 0.81 CCNA2 (0.39) CCNA2CDK2CCNA1
SCHEMBL13055687 0.80 CDK2 (0.35) CCNA2CDK2CCNA1ULK1PDK1
SCHEMBL13055407 0.80 CDK2 (0.38) CCNA2CDK2CCNA1
SCHEMBL13055339 0.80 CCNA2 (0.35) CCNA2CDK2CCNA1
SCHEMBL13055287 0.80 GRM5 (0.39) ARALDH1A1IP6K1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7842712-B2 Indazolinone compositions useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-11-30 — — US disclosed
US-7842712-B2 Indazolinone compositions useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-11-30 — — US disclosed
US-20090048250-A1 INDAZOLINONE COMPOSITIONS USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2009-02-19 — — US disclosed
US-20090048250-A1 INDAZOLINONE COMPOSITIONS USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2009-02-19 — — US disclosed
US-7262200-B2 Indazolinone compositions useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-08-28 — — US disclosed
US-7262200-B2 Indazolinone compositions useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-08-28 — — 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-20090048250-A1 INDAZOLINONE COMPOSITIONS USEFUL AS KINASE INHIBITORS LCK, CDK2, MKNK2 AR 1297/4885CCNA2 333/4885CDK2 2/4885

“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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