SCHEMBL3602838

SCHEMBL3602838

N#Cc1cccc(Nc2nccc(-c3cccnc3NCCCN)n2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 3/20 0.54
CDK2 P24941 3/20 0.54
GSK3B P49841 2/20 0.54
DYRK1A Q13627 2/20 0.54
SYK P43405 4/20 0.46
ABL1 P00519 3/20 0.45
SMG1 Q96Q15 1/20 0.45
EGFR P00533 1/20 0.45
SRC P12931 1/20 0.45
ZAP70 P43403 1/20 0.44
CAMK2D Q13557 1/20 0.43
IKBKB O14920 1/20 0.43
CHUK O15111 1/20 0.43
BCR P11274 2/20 0.42
CSNK2A1 P68400 1/20 0.42
PRKCA P17252 3/20 0.42
CDK1 P06493 2/20 0.42
CDC7 O00311 1/20 0.41
PDGFRB P09619 1/20 0.41
PDGFRA P16234 1/20 0.41

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
SCHEMBL3597151 0.86 CDK4 (0.49) CDK4CDK2GSK3BDYRK1ASYK
SCHEMBL3603990 0.85 CAMK2D (0.60) CDK4CDK2SYKABL1SMG1
SCHEMBL3610465 0.83 CAMK2D (0.60) CDK4CDK2SYKABL1SMG1
SCHEMBL3603518 0.82 CDK1 (0.58) CDK2GSK3BABL1SMG1EGFR
SCHEMBL3609726 0.81 CDK9 (0.59) CDK2GSK3BSYKABL1SMG1
SCHEMBL5996833 0.79 ABL1 (0.58) GSK3BSYKABL1EGFRSRC
SCHEMBL3612180 0.79 CAMK2D (0.69) CDK4CDK2SYKABL1SMG1
SCHEMBL3607411 0.76 GSK3B (0.59) CDK4CDK2GSK3BDYRK1ASYK
SCHEMBL3613553 0.75 CDK1 (0.67) CDK4CDK2ABL1SMG1CAMK2D
SCHEMBL3605884 0.74 CDK2 (0.53) CDK4CDK2ABL1SMG1CAMK2D

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 CDK4 2775/4885CDK2 3078/4885GSK3B 3423/4885

“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.