SCHEMBL4898735

SCHEMBL4898735

c1cc(Nc2ccc(N3CCCC3)cn2)nc(-c2cnccn2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 2/20 0.49
TYK2 P29597 1/20 0.43
CDK4 P11802 10/20 0.42
CDK6 Q00534 9/20 0.42
CCND3 P30281 4/20 0.42
CCND1 P24385 4/20 0.42
EGFR P00533 4/20 0.41
CCNA2 P20248 4/20 0.41
CDK2 P24941 4/20 0.41
WEE1 P30291 1/20 0.38
CDK1 P06493 3/20 0.38
CCNE1 P24864 1/20 0.38
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37
CDC42BPB Q9Y5S2 1/20 0.37
CCNT1 O60563 2/20 0.37
CCNB1 P14635 2/20 0.37
CDK7 P50613 2/20 0.37
CDK9 P50750 2/20 0.37
CCNH P51946 2/20 0.37

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
SCHEMBL5256909 0.90 KARS1 (0.47) KARS1TYK2CDK4CDK6CCND3
Hydrochloric Acid SCHEMBL4896818 0.89 WEE1 (0.47) KARS1CDK4CDK6CCND3CCND1
SCHEMBL4902825 0.82 HPGDS (0.42) KARS1TYK2WEE1
SCHEMBL3138726 0.81 CCNA2 (0.43) TYK2CDK4CDK6CCND3CCND1
Hydrochloric Acid SCHEMBL3147026 0.80 CCNA2 (0.42) TYK2CDK4CDK6CCND3CCND1
SCHEMBL3128560 0.80 CCNA2 (0.44) TYK2CDK4CDK6CCND3CCND1
SCHEMBL4900079 0.79 CYP1A1 (0.43) KARS1TYK2CDK4CDK6CCND3
Hydrochloric Acid SCHEMBL3143181 0.79 CCNA2 (0.44) TYK2CDK4CDK6CCND3CCND1
SCHEMBL4900205 0.77 NPC1 (0.40) KARS1CDK9
SCHEMBL4899495 0.77 CDK4 (0.42) TYK2CDK4CDK6CCND3CCND1

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 KARS1 512/4885TYK2 2831/4885CDK4 2754/4885

“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.