SCHEMBL3607761

SCHEMBL3607761

Clc1cccc(Nc2nccc(-c3ccncc3NCCCn3ccnc3)n2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 2/20 0.54
KDR P35968 1/20 0.54
ABL1 P00519 2/20 0.50
BCR P11274 2/20 0.50
PRKCA P17252 2/20 0.50
PRKCD Q05655 2/20 0.50
SRC P12931 2/20 0.50
EGFR P00533 2/20 0.50
ALDH1A1 P00352 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MAOB P27338 1/20 0.48
CDK2 P24941 3/20 0.48
MAPT P10636 3/20 0.48
NPC1 O15118 2/20 0.48
XBP1 P17861 2/20 0.48
MAPK1 P28482 2/20 0.48
HTT P42858 2/20 0.48
RAB9A P51151 2/20 0.48
CDK5 Q00535 2/20 0.48
CDK5R1 Q15078 2/20 0.48

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
SCHEMBL3596703 0.86 ALDH1A1 (0.47) CDK1ABL1BCRPRKCAPRKCD
SCHEMBL3603917 0.86 ABL1 (0.50) CDK1ABL1BCRPRKCAPRKCD
SCHEMBL3613864 0.84 CDK1 (0.61) CDK1KDRABL1BCRPRKCA
SCHEMBL3602892 0.80 CDK1 (0.58) CDK1KDRABL1BCRPRKCA
SCHEMBL6108097 0.78 CSNK2A1 (0.69) CDK1KDRABL1BCRPRKCA
SCHEMBL3601995 0.73 ABL1 (0.56) CDK1KDRABL1BCRPRKCA
SCHEMBL3605722 0.72 ABL1 (0.65) CDK1ABL1BCRPRKCAPRKCD
SCHEMBL3600187 0.72 ABL1 (0.65) ABL1BCRPRKCAPRKCDCDK2
SCHEMBL3600662 0.72 SLC2A1 (0.51) CDK1KDRABL1BCRPRKCA
SCHEMBL4672119 0.72 KDR (0.74) KDREGFRCSNK2A1

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 3 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
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 CDK1 3769/4885KDR 3785/4885ABL1 3215/4885

“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.