SCHEMBL5945615

SCHEMBL5945615

O=C(Nc1cccc(-c2cnco2)c1)c1n[nH]c2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 8/20 0.60
▸ MAP4K1 Q92918 2/20 0.60
▸ CDK2 P24941 3/20 0.59
▸ CCNA2 P20248 1/20 0.59
▸ CCNA1 P78396 1/20 0.59
▸ CSNK2A1 P68400 6/20 0.56
▸ CDK5 Q00535 1/20 0.52
▸ CDK5R1 Q15078 1/20 0.52
▸ WNT1 P04628 1/20 0.48
▸ DYRK1A Q13627 1/20 0.48
▸ IDO1 P14902 1/20 0.48

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
SCHEMBL82445 0.81 LRRK2 (0.56) WNT1DYRK1A
SCHEMBL952067 0.80 DYRK1A (0.55) CDK2CSNK2A1CDK5WNT1DYRK1A
SCHEMBL82789 0.78 DYRK1A (0.52) FLT3MAP4K1CDK2CSNK2A1CDK5
SCHEMBL5945741 0.76 FLT3 (0.63) FLT3MAP4K1CDK2CCNA2CCNA1
SCHEMBL30398090 0.76 FLT3 (1.00) FLT3MAP4K1CDK2CCNA2CCNA1
SCHEMBL951125 0.76 FLT3 (1.00) FLT3MAP4K1CDK2CCNA2CCNA1
SCHEMBL29176629 0.76 FLT3 (1.00) FLT3MAP4K1CDK2CCNA2CCNA1
SCHEMBL953507 0.76 FLT3 (0.73) FLT3MAP4K1CDK2CCNA2CCNA1
SCHEMBL30695127 0.76 FLT3 (0.73) FLT3MAP4K1CDK2CCNA2CCNA1
SCHEMBL29176618 0.76 FLT3 (0.73) FLT3MAP4K1CDK2CCNA2CCNA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060135589-A1 1h-Indazole-3-carboxamide compounds as cyclin dependent kinase (cdk) inhibitors ASTEX TECHNOLOGY, INC. (GB) 2006-06-22 — — 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-20060135589-A1 1h-Indazole-3-carboxamide compounds as cyclin dependent kinase (cdk) inhibitors CCNC, CDK1, CDK7 FLT3 164/4885MAP4K1 909/4885CDK2 5/4885

“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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