SCHEMBL4261979

SCHEMBL4261979

[c]1ccc(N2CCNCC2)cc1-c1nc(OCC2CCCCC2)c2cn[nH]c2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 2/20 0.50
CCNT1 O60563 1/20 0.43
CDK1 P06493 1/20 0.43
CCNB1 P14635 1/20 0.43
CDK7 P50613 1/20 0.43
CDK9 P50750 1/20 0.43
CCNH P51946 1/20 0.43
CDK5 Q00535 1/20 0.43
FLT3 P36888 1/20 0.39
SGK1 O00141 9/20 0.37
CYP2D6 P10635 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
CDK4 P11802 2/20 0.34
CDK6 Q00534 2/20 0.34
HRH4 Q9H3N8 1/20 0.34
GUSB P08236 1/20 0.33
XDH P47989 1/20 0.33
GRK2 P25098 1/20 0.32

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
SCHEMBL4264564 0.77 CDK2 (0.66) CDK2CCNT1CDK1CCNB1CDK7
SCHEMBL13896216 0.68 CDK2 (0.73) CDK2CCNT1CDK1CCNB1CDK7
SCHEMBL4260619 0.65 CDK2 (0.73) CDK2CCNT1CDK1CCNB1CDK7
SCHEMBL6360071 0.63 CHRNB2 (0.64)
SCHEMBL18383138 0.62 CDK2 (0.62) CDK2CCNT1CDK1CCNB1CDK7
SCHEMBL20699313 0.61 SGK1 (0.59) CDK2SGK1
SCHEMBL4264549 0.60 CDK2 (1.00) CDK2CCNT1CDK1CCNB1CDK7
SCHEMBL5656317 0.59 CHRNB2 (0.65)
SCHEMBL28673129 0.59 SGK1 (0.61) CDK2SGK1
SCHEMBL6350346 0.59 CHRNB2 (0.61)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8314234-B2 Bicyclic pyrimidine kinase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2012-11-20 US disclosed
US-20090076037-A1 BICYCLIC PYRIMIDINE KINASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2009-03-19 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-20090076037-A1 BICYCLIC PYRIMIDINE KINASE INHIBITORS DCK, CDK2, DTYMK CDK2 2/4885CCNT1 542/4885CDK1 8/4885

“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.