SCHEMBL4901286

SCHEMBL4901286

Clc1ccc(Nc2cccc(-c3ccc(N4CCOCC4)cn3)n2)nc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCND3 P30281 3/20 0.48
CDK6 Q00534 3/20 0.48
CCNK O75909 1/20 0.48
CDK9 P50750 1/20 0.48
TYK2 P29597 6/20 0.43
JAK2 O60674 2/20 0.42
LYN P07948 1/20 0.42
SRC P12931 1/20 0.42
JAK1 P23458 1/20 0.42
JAK3 P52333 1/20 0.42
EGFR P00533 1/20 0.41
KCNH2 Q12809 1/20 0.41
CDK4 P11802 3/20 0.40
CCND1 P24385 3/20 0.40
CCNA2 P20248 2/20 0.40
CDK2 P24941 2/20 0.40
AURKA O14965 1/20 0.40
AURKB Q96GD4 1/20 0.40
F10 P00742 1/20 0.40
PLK4 O00444 2/20 0.40

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
SCHEMBL4898748 0.82 SLC2A1 (0.50) EGFR
SCHEMBL4901462 0.82 CCND3 (0.47) CCND3CDK6CCNKCDK9TYK2
SCHEMBL5256909 0.81 KARS1 (0.47) CCND3CDK6CCNKCDK9TYK2
Hydrochloric Acid SCHEMBL27662847 0.81 CCND3 (0.46) CCND3CDK6CCNKCDK9TYK2
SCHEMBL16264778 0.78 CCND3 (0.53) CCND3CDK6CCNKCDK9TYK2
SCHEMBL4901972 0.77 CYP1A1 (0.55) CCND3CDK6CCNKCDK9TYK2
Hydrochloric Acid SCHEMBL4892083 0.77 CCND3 (0.48) CCND3CDK6CCNKCDK9TYK2
SCHEMBL4894240 0.76 LYN (0.47) CCND3CDK6CCNKCDK9TYK2
SCHEMBL4904357 0.75 CDK4 (0.48) CCND3CDK6CCNKCDK9TYK2
SCHEMBL3137946 0.75 CYP1A1 (0.48) CCND3CDK6CCNKCDK9TYK2

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 3 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 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 CCND3 4452/4885CDK6 2720/4885CCNK 2316/4885

“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.