SCHEMBL3608729

SCHEMBL3608729

Cc1cnc(NCCCN)cc1-c1ccnc(Nc2cccc(Cl)c2)n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 2/20 0.62
CDK2 P24941 4/20 0.58
CDK1 P06493 4/20 0.58
CDK4 P11802 3/20 0.58
CDK5 Q00535 3/20 0.58
CDK5R1 Q15078 3/20 0.58
NPC1 O15118 2/20 0.58
MAPT P10636 2/20 0.58
XBP1 P17861 2/20 0.58
MAPK1 P28482 2/20 0.58
HTT P42858 2/20 0.58
RAB9A P51151 2/20 0.58
CCNB1 P14635 2/20 0.58
CCNA2 P20248 2/20 0.58
CCND1 P24385 2/20 0.58
CDK7 P50613 2/20 0.58
CCNH P51946 2/20 0.58
CCNT1 O60563 1/20 0.58
CCNE1 P24864 1/20 0.58
MTOR P42345 1/20 0.58

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
SCHEMBL3601133 0.87 CDK2 (0.56) CSNK2A1CDK2CDK1CDK4CDK5
SCHEMBL3602192 0.85 CAMK2D (0.58) CSNK2A1CDK2CDK1CDK4CDK5
SCHEMBL3600554 0.82 CSNK2A1 (0.69) CSNK2A1CDK2CDK1CDK4CDK5
SCHEMBL3613864 0.82 CDK1 (0.61) CSNK2A1CDK2CDK1CDK4CDK5
SCHEMBL3603530 0.81 CSNK2A1 (0.62) CSNK2A1CDK2CDK1CDK4CDK5
SCHEMBL3610958 0.81 ABL1 (0.60) CSNK2A1CDK2CDK1CDK4MAPT
SCHEMBL3603990 0.81 CAMK2D (0.60) CSNK2A1CDK2CDK1CDK4CDK5
SCHEMBL3608870 0.80 CAMK2D (0.57) CSNK2A1CDK2CDK1CDK4CDK5
SCHEMBL3610465 0.79 CAMK2D (0.60) CSNK2A1CDK2CDK1CDK4CDK5
SCHEMBL3608083 0.78 CSNK2A1 (0.69) CSNK2A1CDK2CDK1CDK4CDK5

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 CSNK2A1 4549/4885CDK2 3078/4885CDK1 3769/4885

“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.