SCHEMBL4898906

SCHEMBL4898906

COc1ccc(-c2ncc(Cl)s2)nc1Nc1ccc(N2CCCCC2)cn1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 4/20 0.43
CCNA2 P20248 3/20 0.43
CDK6 Q00534 10/20 0.40
CCND3 P30281 9/20 0.40
CCNK O75909 6/20 0.40
CDK9 P50750 6/20 0.40
CDK4 P11802 6/20 0.39
CCND1 P24385 6/20 0.39
CTSC P53634 1/20 0.38
CCNE1 P24864 1/20 0.38
TYK2 P29597 2/20 0.37
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
BRD4 O60885 1/20 0.35

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
SCHEMBL4892385 0.99 CDK2 (0.42) CDK2CCNA2CDK6CCND3CCNK
SCHEMBL5261263 0.90 CCND3 (0.45) CDK2CCNA2CDK6CCND3CCNK
SCHEMBL5261566 0.89 CDK4 (0.40) CDK2CCNA2CDK6CCND3CCNK
SCHEMBL4902677 0.85 F10 (0.42) SMN1; SMN2
SCHEMBL27663025 0.85 POLB (0.39) CDK2CCNA2CDK6CCND3CCNK
SCHEMBL4894058 0.84 CTSC (0.40) CDK2CCNA2CDK6CCND3CCNK
SCHEMBL5263950 0.84 ATM (0.41) SMN1; SMN2
Hydrochloric Acid SCHEMBL4902864 0.83 ATM (0.41) SMN1; SMN2
SCHEMBL4891073 0.83 CTSC (0.40) CDK2CCNA2CDK6CCND3CCNK
Hydrochloric Acid SCHEMBL27682306 0.82 CDK4 (0.32) CDK2CCNA2CDK6CCND3CCNK

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 CDK2 3182/4885CCNA2 4359/4885CDK6 2720/4885

“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.