SCHEMBL3610580

SCHEMBL3610580

COc1cnccc1-c1ccnc(Nc2cccc(S(C)(=O)=O)c2)n1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 4/20 0.81
ABL1 P00519 3/20 0.81
LCK P06239 2/20 0.81
PDGFRB P09619 2/20 0.81
AURKA O14965 1/20 0.81
MAP4K4 O95819 1/20 0.81
MET P08581 1/20 0.81
FGFR1 P11362 1/20 0.81
FLT1 P17948 1/20 0.81
KDR P35968 1/20 0.81
FLT3 P36888 1/20 0.81
MAPK8 P45983 1/20 0.81
MAPK9 P45984 1/20 0.81
GSK3A P49840 1/20 0.81
GSK3B P49841 1/20 0.81
CDK5 Q00535 1/20 0.81
ACVR1 Q04771 1/20 0.81
MST1R Q04912 1/20 0.81
TYRO3 Q06418 1/20 0.81
NTRK2 Q16620 1/20 0.81

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
SCHEMBL14161111 0.89 CDK9 (1.00) CDK9ABL1LCKPDGFRBAURKA
SCHEMBL3614861 0.83 ABL1 (0.61) CDK9ABL1LCKPDGFRBAURKA
SCHEMBL3596098 0.82 CDK9 (0.76) CDK9ABL1LCKPDGFRBAURKA
SCHEMBL3615751 0.80 CDK9 (0.70) CDK9ABL1LCKPDGFRBAURKA
SCHEMBL4107249 0.79 CDK9 (0.76) CDK9ABL1LCKPDGFRBAURKA
SCHEMBL3611442 0.78 CDK9 (0.70) CDK9ABL1LCKPDGFRBAURKA
SCHEMBL16564577 0.77 CDK9 (0.77) CDK9ABL1LCKPDGFRBAURKA
SCHEMBL2230269 0.76 CDK9 (0.55) CDK9ABL1LCKPDGFRBAURKA
SCHEMBL3612317 0.76 CDK2 (0.56) CDK9ABL1LCKAURKAMAP4K4
SCHEMBL3620128 0.74 CDK9 (0.64) CDK9ABL1LCKPDGFRBAURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100048597-A1 Organic Compounds and Their Uses NOVARTIS AG 2010-02-25 US disclosed
US-20100048597-A1 Organic Compounds and Their Uses NOVARTIS AG 2010-02-25 US disclosed
US-20100048597-A1 Organic Compounds and Their Uses NOVARTIS AG 2010-02-25 US disclosed
WO-2008079933-A2 HETEROARYL-HETEROARYL COMPOUNDS AS CDK INHIBITORS FOR THE TREATMENT OF CANCER, INFLAMMATION AND VIRAL INFECTIONS NOVARTIS AG (CH) 2008-07-03 WO 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-20100048597-A1 Organic Compounds and Their Uses OAT, OTC, AOX1 CDK9 3238/4885ABL1 3215/4885LCK 2661/4885

“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.