SCHEMBL4902856

SCHEMBL4902856

COc1ccc(-c2nccs2)nc1Nc1ccc(N2CCC(O)CC2)cn1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 11/20 0.40
CCND1 P24385 3/20 0.40
CCND2 P30279 2/20 0.39
CCND3 P30281 2/20 0.39
TYK2 P29597 1/20 0.39
MAP4K1 Q92918 2/20 0.39
CDK6 Q00534 4/20 0.38
PLK1 P53350 2/20 0.38
TTK P33981 1/20 0.38
CTSC P53634 1/20 0.38
LRRK2 Q5S007 1/20 0.37
MAPK7 Q13164 1/20 0.36
INSR P06213 1/20 0.36
IGF1R P08069 1/20 0.36
ALK Q9UM73 1/20 0.36

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
SCHEMBL4891073 0.90 CTSC (0.40) CDK4CCND1CCND3CDK6TTK
SCHEMBL4901213 0.89 CTSC (0.47) CDK4CCND1CCND3MAP4K1CDK6
SCHEMBL4894058 0.89 CTSC (0.40) CDK4CCND1CCND3TYK2CDK6
SCHEMBL4900781 0.87 CYP1A1 (0.50) CDK4CCND1CCND3CDK6CTSC
Hydrochloric Acid SCHEMBL4904505 0.86 CDK4 (0.44) CDK4CCND1CCND3CDK6ALK
Hydrochloric Acid SCHEMBL4901468 0.86 CDK4 (0.43) CDK4CCND1CCND3CDK6PLK1
SCHEMBL5255881 0.85 CTSC (0.45) CDK4CCND1CCND3CDK6CTSC
SCHEMBL5257505 0.84 CDK4 (0.45) CDK4CCND1CDK6
Hydrochloric Acid SCHEMBL4892307 0.83 CDK4 (0.44) CDK4CCND1CDK6
Hydrochloric Acid SCHEMBL4896584 0.83 GHSR (0.49) CDK4CCND1CCND2CCND3CDK6

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 2754/4885CCND1 4529/4885CCND2 4524/4885

“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.