SCHEMBL3605645

SCHEMBL3605645

COc1nnccc1-c1ccnc(Nc2cccc(Cl)c2)n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 6/20 0.59
PIK3CA P42336 5/20 0.59
PIK3CB P42338 5/20 0.59
ABL1 P00519 2/20 0.54
BCR P11274 1/20 0.54
PRKCA P17252 1/20 0.54
PRKCD Q05655 1/20 0.54
CAMK2D Q13557 4/20 0.53
CDK2 P24941 3/20 0.53
CDK4 P11802 1/20 0.53
EIF2AK2 P19525 2/20 0.49
MAPT P10636 1/20 0.49
PLK1 P53350 1/20 0.48
AURKA O14965 1/20 0.47
MAP4K4 O95819 1/20 0.47
LCK P06239 1/20 0.47
MET P08581 1/20 0.47
PDGFRB P09619 1/20 0.47
FGFR1 P11362 1/20 0.47
FLT1 P17948 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
SCHEMBL3616698 0.85 CDK2 (0.61) PIK3CGPIK3CAPIK3CBABL1BCR
SCHEMBL3602654 0.85 ABL1 (0.59) PIK3CGPIK3CAPIK3CBABL1BCR
SCHEMBL3614570 0.84 PIK3CA (0.62) PIK3CGPIK3CAPIK3CBABL1BCR
SCHEMBL3601021 0.83 PIK3CA (0.61) PIK3CGPIK3CAPIK3CBABL1BCR
SCHEMBL3614861 0.81 ABL1 (0.61) PIK3CGPIK3CAPIK3CBABL1BCR
SCHEMBL3600200 0.78 CDK2 (0.64) PIK3CGPIK3CAPIK3CBABL1BCR
SCHEMBL3605872 0.78 PIK3CA (0.62) PIK3CGPIK3CAPIK3CBABL1BCR
SCHEMBL3613093 0.78 ABL1 (0.57) PIK3CGPIK3CAPIK3CBABL1BCR
SCHEMBL2286433 0.77 CDK2 (0.76) PIK3CGPIK3CAPIK3CBABL1BCR
SCHEMBL3600187 0.77 ABL1 (0.65) PIK3CGPIK3CAPIK3CBABL1BCR

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

“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.