SCHEMBL3609491

SCHEMBL3609491

CNCCNc1nccc(-c2ccnc(Nc3cccc(Cl)c3)n2)c1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAMK2D Q13557 5/20 0.53
PIK3CA P42336 2/20 0.53
PIK3CB P42338 2/20 0.53
PIK3CG P48736 2/20 0.53
CDK2 P24941 4/20 0.52
CDK4 P11802 2/20 0.52
CSNK2A1 P68400 2/20 0.51
ABL1 P00519 1/20 0.50
BCR P11274 1/20 0.50
PRKCA P17252 1/20 0.50
PRKCD Q05655 1/20 0.50
MAPT P10636 3/20 0.49
NPC1 O15118 2/20 0.49
XBP1 P17861 2/20 0.49
MAPK1 P28482 2/20 0.49
HTT P42858 2/20 0.49
RAB9A P51151 2/20 0.49
CDK5 Q00535 2/20 0.49
CDK5R1 Q15078 2/20 0.49
CCNT1 O60563 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
SCHEMBL3602192 0.90 CAMK2D (0.58) CAMK2DPIK3CAPIK3CBPIK3CGCDK2
SCHEMBL3609046 0.88 CDK1 (0.65) CAMK2DPIK3CAPIK3CBPIK3CGCDK2
SCHEMBL14140366 0.88 ABL1 (0.52) CAMK2DPIK3CAPIK3CBPIK3CGCDK2
SCHEMBL3608406 0.86 CAMK2D (0.53) CAMK2DPIK3CAPIK3CBPIK3CGCDK2
SCHEMBL3597064 0.86 PIK3CA (0.52) CAMK2DPIK3CAPIK3CBPIK3CGCDK2
SCHEMBL3617505 0.85 MAPT (0.53) CAMK2DPIK3CAPIK3CBPIK3CGCDK2
SCHEMBL14140481 0.85 CAMK2D (0.49) CAMK2DPIK3CAPIK3CBPIK3CGCDK2
SCHEMBL3610719 0.84 CAMK2D (0.54) CAMK2DPIK3CAPIK3CBPIK3CGCDK2
SCHEMBL3605169 0.84 CDK2 (0.51) CAMK2DPIK3CAPIK3CBPIK3CGCDK2
SCHEMBL3605884 0.83 CDK2 (0.53) CAMK2DPIK3CAPIK3CBPIK3CGCDK2

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
US-20100048597-A1 Organic Compounds and Their Uses NOVARTIS AG 2010-02-25 US 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 CAMK2D 4474/4885PIK3CA 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.