SCHEMBL4892385

SCHEMBL4892385

COc1ccc(-c2ncc(Cl)s2)nc1Nc1ccc(N2CCCC2)cn1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 4/20 0.42
CCNA2 P20248 3/20 0.42
CDK6 Q00534 12/20 0.41
CCND3 P30281 11/20 0.41
CCNK O75909 8/20 0.41
CDK9 P50750 8/20 0.41
CTSC P53634 1/20 0.39
CDK4 P11802 6/20 0.38
CCND1 P24385 6/20 0.38
CCNE1 P24864 1/20 0.36
TYK2 P29597 1/20 0.36
BRD4 O60885 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
SCHEMBL4898906 0.99 CDK2 (0.43) CDK2CCNA2CDK6CCND3CCNK
SCHEMBL5261263 0.91 CCND3 (0.45) CDK2CCNA2CDK6CCND3CCNK
SCHEMBL5261566 0.90 CDK4 (0.40) CDK2CCNA2CDK6CCND3CCNK
SCHEMBL4902677 0.86 F10 (0.42)
SCHEMBL27663025 0.86 POLB (0.39) CDK2CCNA2CDK6CCND3CCNK
SCHEMBL5263950 0.85 ATM (0.41)
Hydrochloric Acid SCHEMBL4902864 0.84 ATM (0.41)
SCHEMBL4891073 0.84 CTSC (0.40) CDK2CCNA2CDK6CCND3CCNK
SCHEMBL4894058 0.83 CTSC (0.40) CDK2CCNA2CDK6CCND3CCNK
Hydrochloric Acid SCHEMBL27682306 0.83 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 6 patents. 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 claimed
EP-1737852-A2 POLYCYCLIC PYRIDINES AS POTASSIUM ION CHANNEL MODULATORS Icagen, Inc. (US) 2007-01-03 EP claimed
WO-2005100349-A2 POLYCYCLIC PYRIDINES AS POTASSIUM ION CHANNEL MODULATORS ICAGEN, INC. (US) 2005-10-27 WO claimed
US-20080108600-A1 Polycyclic Pyridines as Potassium Ion Channel Modulators ICAGEN, INC. (US) 2008-05-08 US disclosed
EP-1737852-A2 POLYCYCLIC PYRIDINES AS POTASSIUM ION CHANNEL MODULATORS Icagen, Inc. (US) 2007-01-03 EP disclosed
WO-2005100349-A2 POLYCYCLIC PYRIDINES AS POTASSIUM ION CHANNEL MODULATORS ICAGEN, INC. (US) 2005-10-27 WO 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.