SCHEMBL6485242

SCHEMBL6485242

Nc1n[nH]c2cc(-c3ccncc3)ccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 9/20 1.00
JAK2 O60674 4/20 0.75
CDK2 P24941 5/20 0.56
AURKA O14965 3/20 0.56
TGFBR1 P36897 3/20 0.56
AURKB Q96GD4 3/20 0.56
ROCK1 Q13464 2/20 0.56
CHUK O15111 1/20 0.56
RPS6KB1 P23443 1/20 0.56
KDR P35968 1/20 0.56
SYK P43405 1/20 0.56
JAK3 P52333 1/20 0.56
MAP3K5 Q99683 1/20 0.56
CDC7 O00311 2/20 0.55
ROCK2 O75116 2/20 0.55
MAP4K4 O95819 2/20 0.55
PIM1 P11309 2/20 0.55
PRKACA P17612 2/20 0.55
GSK3B P49841 2/20 0.55
HIPK2 Q9H2X6 2/20 0.55

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
SCHEMBL31690865 0.86 JAK2 (1.00) PDPK1JAK2CDK2AURKBROCK1
SCHEMBL421269 0.85 JAK2 (0.77) PDPK1JAK2CDK2AURKATGFBR1
SCHEMBL12907241 0.84 JAK2 (1.00) PDPK1JAK2CDK2AURKATGFBR1
SCHEMBL3361070 0.84 JAK2 (1.00) PDPK1JAK2CDK2AURKATGFBR1
SCHEMBL6488855 0.82 JAK2 (0.72) PDPK1JAK2CDK2AURKATGFBR1
SCHEMBL4494073 0.82 JAK2 (0.72) PDPK1JAK2CDK2AURKATGFBR1
SCHEMBL6479941 0.82 JAK2 (0.72) PDPK1JAK2CDK2AURKATGFBR1
SCHEMBL3359710 0.82 FGFR1 (0.72) PDPK1JAK2CDK2AURKATGFBR1
SCHEMBL731711 0.82 PDPK1 (0.68) PDPK1JAK2CDK2AURKATGFBR1
SCHEMBL12907202 0.81 PDPK1 (0.69) PDPK1JAK2CDK2AURKATGFBR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101962365-A Aminoindazole derivatives as protein-kinase inhibitors AVENTIS PHARMA SA 2011-02-02 CN claimed
US-6949579-B2 Aminoindazole derivatives and intermediates, preparation thereof, and pharmaceutical compositions thereof AVENTIS PHARMA S.A. (FR) 2005-09-27 US claimed
CN-1656078-A Aminoindazole derivatives as protein kinase inhibitors AVENTIS PHARMA SA (FR) 2005-08-17 CN claimed
US-20040014802-A1 Aminoindazole derivatives and intermediates, preparation thereof, and pharmaceutical compositions thereof AVENTIS PHARMA S.A. (FR) 2004-01-22 US claimed
EP-1487804-B1 AMINOINDAZOLE DERIVATIVES AS PROTEIN-KINASE INHIBITORS AVENTIS PHARMA SA (FR) 2014-02-26 EP disclosed
CN-101962365-A Aminoindazole derivatives as protein-kinase inhibitors AVENTIS PHARMA SA 2011-02-02 CN disclosed
US-6949579-B2 Aminoindazole derivatives and intermediates, preparation thereof, and pharmaceutical compositions thereof AVENTIS PHARMA S.A. (FR) 2005-09-27 US disclosed
CN-1656078-A Aminoindazole derivatives as protein kinase inhibitors AVENTIS PHARMA SA (FR) 2005-08-17 CN disclosed
US-20040014802-A1 Aminoindazole derivatives and intermediates, preparation thereof, and pharmaceutical compositions thereof AVENTIS PHARMA S.A. (FR) 2004-01-22 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-20040014802-A1 Aminoindazole derivatives and intermediates, preparation thereof, and pharmaceutical compositions thereof CYP2C8, NR0B2, NR2C2 PDPK1 4495/4885JAK2 1774/4885CDK2 1677/4885

“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.