SCHEMBL4899495

SCHEMBL4899495

COc1ccc(-c2cnccn2)nc1Nc1ccc(N2CCCCC2)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 10/20 0.42
CDK6 Q00534 8/20 0.42
CCND1 P24385 7/20 0.42
CCND3 P30281 5/20 0.42
CDK2 P24941 6/20 0.41
CCNA2 P20248 5/20 0.41
CCNE1 P24864 2/20 0.41
CTSC P53634 1/20 0.39
TTK P33981 1/20 0.38
CDK9 P50750 3/20 0.38
CCNK O75909 2/20 0.38
ABL1 P00519 1/20 0.37
NTRK1 P04629 1/20 0.37
YES1 P07947 1/20 0.37
PIM1 P11309 1/20 0.37
MAPK1 P28482 1/20 0.37
KDR P35968 1/20 0.37
HIPK1 Q86Z02 1/20 0.37
EGFR P00533 1/20 0.37
CDK1 P06493 2/20 0.37

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
SCHEMBL4902946 0.91 CTSC (0.48) CDK4CDK6CCND1CCND3CDK2
SCHEMBL4893138 0.90 PKMYT1 (0.43) CDK4CDK6CCND1CCND3CDK2
Hydrochloric Acid SCHEMBL5317119 0.87 CDK2 (0.44) CDK4CDK6CCND1CCND3CDK2
SCHEMBL4894058 0.82 CTSC (0.40) CDK4CDK6CCND1CCND3CDK2
SCHEMBL4891073 0.81 CTSC (0.40) CDK4CDK6CCND1CCND3CDK2
SCHEMBL4898906 0.80 CDK2 (0.43) CDK4CDK6CCND1CCND3CDK2
SCHEMBL4893335 0.79 CTSC (0.50) CDK4CDK6CCND1CCND3CDK2
SCHEMBL4892385 0.79 CDK2 (0.42) CDK4CDK6CCND1CCND3CDK2
SCHEMBL4902787 0.78 EDNRA (0.38) CDK4CCND1CDK2CCNE1CDK1
SCHEMBL4898735 0.77 KARS1 (0.49) CDK4CDK6CCND1CCND3CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080108600-A1 Polycyclic Pyridines as Potassium Ion Channel Modulators ICAGEN, INC. (US) 2008-05-08 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-20080108600-A1 Polycyclic Pyridines as Potassium Ion Channel Modulators KCNJ2, KCNH2, KCNQ1 CDK4 2754/4885CDK6 2720/4885CCND1 4529/4885

“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.