SCHEMBL953507

SCHEMBL953507

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

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 7/20 0.73
MAP4K1 Q92918 1/20 0.73
CDK2 P24941 3/20 0.72
CCNA2 P20248 1/20 0.72
CCNA1 P78396 1/20 0.72
CSNK2A1 P68400 6/20 0.67
ITK Q08881 1/20 0.65
EPHB3 P54753 1/20 0.62
CDK5 Q00535 1/20 0.60
CDK5R1 Q15078 1/20 0.60
HIF1A Q16665 1/20 0.60
IDO1 P14902 1/20 0.58
FADS1 O60427 1/20 0.58

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
SCHEMBL30695127 1.00 FLT3 (0.73) FLT3MAP4K1CDK2CCNA2CCNA1
SCHEMBL4509980 0.92 EPHB3 (0.78) FLT3MAP4K1CDK2CCNA2CCNA1
SCHEMBL954669 0.85 FLT3 (0.78) FLT3MAP4K1CDK2CCNA2CCNA1
SCHEMBL30398090 0.84 FLT3 (1.00) FLT3MAP4K1CDK2CCNA2CCNA1
SCHEMBL951125 0.84 FLT3 (1.00) FLT3MAP4K1CDK2CCNA2CCNA1
SCHEMBL952349 0.84 CSNK2A1 (0.69) FLT3MAP4K1CDK2CCNA2CCNA1
SCHEMBL30695138 0.84 FLT3 (1.00) FLT3MAP4K1CDK2CCNA2CCNA1
SCHEMBL29176629 0.84 FLT3 (1.00) FLT3MAP4K1CDK2CCNA2CCNA1
SCHEMBL29176630 0.84 FLT3 (0.73) FLT3MAP4K1CDK2CCNA2CCNA1
SCHEMBL30695136 0.84 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024109642-A1 USE OF BENZOAZACYCLIC COMPOUND AS ALLOSTERIC MODULATOR OF β2-ADRENOCEPTOR 常州大学 2024-05-30 WO disclosed
CN-117229217-A Allosteric modulator of adrenergic receptor functional activity, preparation method and application thereof 常州大学 2023-12-15 CN disclosed
US-20110021467-A1 INDAZOLECARBOXAMIDE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF MALARIA SANOFI-AVENTIS (FR) 2011-01-27 US disclosed
US-7842711-B2 Indazolecarboxamide derivatives for the treatment and prevention of malaria SANOFI-AVENTIS (FR) 2010-11-30 US disclosed
US-20070185187-A1 INDAZOLECARBOXAMIDE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF MALARIA SANOFI-AVENTIS (FR) 2007-08-09 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 (2 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-20070185187-A1 INDAZOLECARBOXAMIDE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF MALARIA CYP3A43, CYP3A5, SIRT5 FLT3 1154/4885MAP4K1 4385/4885CDK2 3323/4885
US-20110021467-A1 INDAZOLECARBOXAMIDE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF MALARIA CYP3A43, CYP3A5, SIRT5 FLT3 1154/4885MAP4K1 4385/4885CDK2 3323/4885

“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.