SCHEMBL3601995

SCHEMBL3601995

CC(=O)NCCCNc1cnccc1-c1ccnc(Nc2cccc(-n3ccnc3)c2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 7/20 0.56
SRC P12931 4/20 0.56
BCR P11274 4/20 0.56
PDGFRB P09619 3/20 0.56
PDGFRA P16234 3/20 0.56
PRKCA P17252 3/20 0.56
PRKCD Q05655 3/20 0.56
ACVR1 Q04771 1/20 0.43
JAK2 O60674 3/20 0.42
SYK P43405 2/20 0.42
EGFR P00533 2/20 0.41
CDK1 P06493 3/20 0.41
KDR P35968 1/20 0.41
FLT3 P36888 3/20 0.40
CCNB1 P14635 2/20 0.40
LCK P06239 1/20 0.40
LYN P07948 1/20 0.40
KIT P10721 1/20 0.40
DDR2 Q16832 1/20 0.40
CDK2 P24941 2/20 0.39

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
SCHEMBL3602892 0.84 CDK1 (0.58) ABL1SRCBCRPRKCAPRKCD
SCHEMBL3607761 0.73 CDK1 (0.54) ABL1SRCBCRPRKCAPRKCD
SCHEMBL6256104 0.73 ABL1 (1.00) ABL1SRCBCRPDGFRBPDGFRA
SCHEMBL7463426 0.73 ABL1 (0.80) ABL1SRCBCRPDGFRBPDGFRA
SCHEMBL14140367 0.72 ABL1 (0.48) ABL1SRCBCRJAK2SYK
SCHEMBL3617310 0.72 CDK1 (0.53) CDK1KDRCCNB1CDK2CDK4
SCHEMBL3608421 0.71 CDK2 (0.52) ABL1BCRPRKCAPRKCDJAK2
SCHEMBL3617376 0.71 CDK2 (0.51) ABL1BCRPRKCAPRKCDJAK2
SCHEMBL3605169 0.71 CDK2 (0.51) ABL1BCRPRKCAPRKCDJAK2
SCHEMBL7465915 0.70 ABL1 (0.71) ABL1SRCBCRPDGFRBPDGFRA

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 ABL1 3215/4885SRC 3229/4885BCR 3115/4885

“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.