SCHEMBL3607707

SCHEMBL3607707

Cc1cnc(C)c(-c2ccnc(Nc3cccc(Cl)c3)n2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.63
PIK3CB P42338 2/20 0.63
PIK3CG P48736 2/20 0.63
CDK2 P24941 4/20 0.61
CDK4 P11802 2/20 0.61
ABL1 P00519 2/20 0.60
BCR P11274 2/20 0.60
PRKCA P17252 1/20 0.60
PRKCD Q05655 1/20 0.60
CAMK2D Q13557 4/20 0.56
EIF2AK2 P19525 2/20 0.54
PLK1 P53350 1/20 0.51
DYRK1A Q13627 1/20 0.51
MAPT P10636 1/20 0.49
CSNK2A1 P68400 1/20 0.49
CCNB2 O95067 1/20 0.49
CDK1 P06493 1/20 0.49
RET P07949 1/20 0.49
CCNB1 P14635 1/20 0.49
CCNB3 Q8WWL7 1/20 0.49

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
SCHEMBL3609179 0.85 CDK2 (0.64) PIK3CAPIK3CBPIK3CGCDK2CDK4
SCHEMBL3600200 0.83 CDK2 (0.64) PIK3CAPIK3CBPIK3CGCDK2CDK4
SCHEMBL3600187 0.82 ABL1 (0.65) PIK3CAPIK3CBPIK3CGCDK2CDK4
SCHEMBL3610958 0.81 ABL1 (0.60) PIK3CAPIK3CBPIK3CGCDK2CDK4
SCHEMBL3616698 0.81 CDK2 (0.61) PIK3CAPIK3CBPIK3CGCDK2CDK4
SCHEMBL3605872 0.81 PIK3CA (0.62) PIK3CAPIK3CBPIK3CGCDK2CDK4
SCHEMBL6799823 0.79 CDK2 (0.65) PIK3CAPIK3CBPIK3CGCDK2CDK4
SCHEMBL13503026 0.78 ABL1 (0.62) PIK3CAPIK3CBPIK3CGCDK2CDK4
SCHEMBL3247335 0.78 EIF2AK2 (0.62) PIK3CAPIK3CBPIK3CGCDK2CDK4
SCHEMBL3599515 0.78 ABL1 (0.65) PIK3CAPIK3CBPIK3CGCDK2CDK4

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 PIK3CA 4318/4885PIK3CB 4252/4885PIK3CG 4634/4885

“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.