SCHEMBL6752979

SCHEMBL6752979

Nc1cccc(-c2ccnc(Nc3cccc(S(N)(=O)=O)c3)n2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAMK2D Q13557 1/20 0.67
CDK1 P06493 9/20 0.66
MTOR P42345 8/20 0.66
SMG1 Q96Q15 7/20 0.66
ABL1 P00519 2/20 0.65
BCR P11274 2/20 0.65
SRC P12931 2/20 0.65
EGFR P00533 1/20 0.65
PRKACA P17612 1/20 0.65
PRKACG P22612 1/20 0.65
PRKACB P22694 1/20 0.65
CDK2 P24941 8/20 0.65
IKBKB O14920 3/20 0.64
PLK1 P53350 1/20 0.62
PIK3CA P42336 1/20 0.61
PIK3CG P48736 1/20 0.61
SYK P43405 1/20 0.59
CCNT1 O60563 2/20 0.59
CCNB1 P14635 2/20 0.59
CCNA2 P20248 2/20 0.59

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
SCHEMBL7471938 0.87 ABL1 (0.70) CDK1MTORSMG1ABL1BCR
SCHEMBL823915 0.86 CAMK2D (0.82) CAMK2DABL1BCRSRCEGFR
SCHEMBL7524252 0.86 CDK1 (0.69) CDK1MTORSMG1ABL1BCR
SCHEMBL6752978 0.85 CDK1 (0.66) CDK1MTORSMG1ABL1BCR
SCHEMBL1667404 0.84 IKBKB (0.62) CDK1MTORSMG1CDK2IKBKB
SCHEMBL3518683 0.83 IKBKB (0.66) CDK1MTORSMG1ABL1CDK2
SCHEMBL27444270 0.82 PLK1 (0.78) CAMK2DSMG1ABL1BCRSRC
SCHEMBL3521890 0.82 CDK1 (0.62) CDK1MTORSMG1CDK2IKBKB
SCHEMBL14253959 0.82 IKBKB (0.67) CDK1MTORSMG1ABL1CDK2
SCHEMBL7464681 0.81 CDK1 (0.61) CDK1MTORSMG1ABL1BCR

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-20040147507-A1 Compositions useful as inhibitors of JAK and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2004-07-29 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-20040147507-A1 Compositions useful as inhibitors of JAK and other protein kinases JAK1, JAK2, JAK3 CAMK2D 442/4885CDK1 113/4885MTOR 129/4885

“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.