SCHEMBL3616698

SCHEMBL3616698

Cc1nnccc1-c1ccnc(Nc2cccc(Cl)c2)n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 5/20 0.61
CDK4 P11802 2/20 0.61
PIK3CA P42336 2/20 0.60
PIK3CB P42338 2/20 0.60
PIK3CG P48736 2/20 0.60
ABL1 P00519 1/20 0.57
BCR P11274 1/20 0.57
PRKCA P17252 1/20 0.57
PRKCD Q05655 1/20 0.57
CAMK2D Q13557 6/20 0.56
EIF2AK2 P19525 2/20 0.54
PLK1 P53350 1/20 0.51
MAPT P10636 2/20 0.49
CSNK2A1 P68400 1/20 0.49
CDK1 P06493 2/20 0.47
SMG1 Q96Q15 2/20 0.47
NPC1 O15118 1/20 0.47
CCNT1 O60563 1/20 0.47
CCNB1 P14635 1/20 0.47
XBP1 P17861 1/20 0.47

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
SCHEMBL3602654 0.88 ABL1 (0.59) CDK2CDK4PIK3CAPIK3CBPIK3CG
SCHEMBL3609179 0.85 CDK2 (0.64) CDK2CDK4PIK3CAPIK3CBPIK3CG
SCHEMBL3600200 0.85 CDK2 (0.64) CDK2CDK4PIK3CAPIK3CBPIK3CG
SCHEMBL3605645 0.85 PIK3CG (0.59) CDK2CDK4PIK3CAPIK3CBPIK3CG
SCHEMBL3605872 0.83 PIK3CA (0.62) CDK2CDK4PIK3CAPIK3CBPIK3CG
SCHEMBL3600187 0.82 ABL1 (0.65) CDK2CDK4PIK3CAPIK3CBPIK3CG
SCHEMBL3607707 0.81 PIK3CA (0.63) CDK2CDK4PIK3CAPIK3CBPIK3CG
SCHEMBL3247335 0.80 EIF2AK2 (0.62) CDK2CDK4PIK3CAPIK3CBPIK3CG
SCHEMBL6799823 0.79 CDK2 (0.65) CDK2CDK4PIK3CAPIK3CBPIK3CG
SCHEMBL3610958 0.79 ABL1 (0.60) CDK2CDK4PIK3CAPIK3CBPIK3CG

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 CDK2 3078/4885CDK4 2775/4885PIK3CA 4318/4885

“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.