SCHEMBL4901972

SCHEMBL4901972

c1cc(Nc2ccc(N3CCOCC3)cn2)nc(-c2nccs2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 2/20 0.55
CYP1A2 P05177 2/20 0.55
CYP1B1 Q16678 2/20 0.55
TYK2 P29597 4/20 0.44
JUN P05412 1/20 0.43
MAPK8 P45983 1/20 0.43
MAPK10 P53779 1/20 0.43
CDK4 P11802 5/20 0.43
CCND1 P24385 5/20 0.43
CCND3 P30281 4/20 0.43
CDK6 Q00534 4/20 0.43
CDK2 P24941 4/20 0.43
CCNA2 P20248 3/20 0.43
PRKCI P41743 1/20 0.43
CCNK O75909 1/20 0.43
CDK9 P50750 1/20 0.43
EGFR P00533 1/20 0.42
KCNH2 Q12809 1/20 0.42
JAK2 O60674 2/20 0.42
LYN P07948 1/20 0.42

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
SCHEMBL4900079 0.90 CYP1A1 (0.43) CYP1A1CYP1A2CYP1B1TYK2CDK4
SCHEMBL27682405 0.85 TYK2 (0.46) CYP1A1CYP1A2CYP1B1TYK2CDK4
SCHEMBL28760940 0.85 CDK4 (0.43) CYP1A1CYP1A2CYP1B1CDK4CCND1
Hydrochloric Acid SCHEMBL4903105 0.85 TYK2 (0.45) CYP1A1CYP1A2CYP1B1TYK2CDK4
SCHEMBL4891175 0.85 CDK6 (0.45) CDK4CCND1CCND3CDK6CDK2
Hydrochloric Acid SCHEMBL4902843 0.84 CDK6 (0.44) CDK4CCND1CCND3CDK6CDK2
Hydrochloric Acid SCHEMBL5463434 0.84 CDK4 (0.43) CYP1A1CYP1A2CYP1B1CDK4CCND1
SCHEMBL6367505 0.83 CYP1B1 (0.77) CYP1A1CYP1A2CYP1B1CDK4CCND1
SCHEMBL4901462 0.83 CCND3 (0.47) TYK2MAPK10CDK4CCND1CCND3
SCHEMBL4899665 0.83 CDK4 (0.42) CYP1A1CYP1A2CYP1B1CDK4CCND1

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 CYP1A1 2689/4885CYP1A2 2682/4885CYP1B1 3572/4885

“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.