SCHEMBL4894058

SCHEMBL4894058

COc1ccc(-c2nccs2)nc1Nc1ccc(N2CCCCC2)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSC P53634 1/20 0.40
CDK2 P24941 7/20 0.39
CCNA2 P20248 5/20 0.39
CDK6 Q00534 7/20 0.39
CDK4 P11802 7/20 0.39
CCND3 P30281 6/20 0.39
CCND1 P24385 6/20 0.39
CCNE1 P24864 3/20 0.39
CDK1 P06493 2/20 0.39
CDK9 P50750 3/20 0.38
CCNK O75909 2/20 0.38
CYP1A1 P04798 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP1B1 Q16678 1/20 0.38
TTK P33981 1/20 0.37
SRC P12931 1/20 0.36
ZAP70 P43403 1/20 0.36
SYK P43405 1/20 0.36
ABL1 P00519 1/20 0.36
NTRK1 P04629 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 0.99 CTSC (0.40) CTSCCDK2CCNA2CDK6CDK4
SCHEMBL5255881 0.93 CTSC (0.45) CTSCCDK2CCNA2CDK6CDK4
SCHEMBL4901213 0.92 CTSC (0.47) CTSCCDK2CCNA2CDK6CDK4
SCHEMBL4900781 0.90 CYP1A1 (0.50) CTSCCDK2CCNA2CDK6CDK4
Hydrochloric Acid SCHEMBL4904505 0.90 CDK4 (0.44) CDK2CCNA2CDK6CDK4CCND3
SCHEMBL4902856 0.89 CDK4 (0.40) CTSCCDK6CDK4CCND3CCND1
SCHEMBL5257505 0.85 CDK4 (0.45) CDK2CCNA2CDK6CDK4CCND1
SCHEMBL4899702 0.85 HCRTR1 (0.40) CDK2CCNA2CDK6CDK4CCND3
Hydrochloric Acid SCHEMBL4892307 0.85 CDK4 (0.44) CDK2CCNA2CDK6CDK4CCND1
Hydrochloric Acid SCHEMBL5257872 0.85 HCRTR1 (0.40) CDK2CCNA2CDK6CDK4CCND3

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 4 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
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 CTSC 3134/4885CDK2 3182/4885CCNA2 4359/4885

“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.