SCHEMBL3138726

SCHEMBL3138726

c1ccc(-c2cncc(Nc3ccc(N4CCCC4)cn3)n2)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 2/20 0.43
CDK2 P24941 2/20 0.43
EGFR P00533 4/20 0.41
TYK2 P29597 1/20 0.41
CNR2 P34972 1/20 0.40
METAP1 P53582 1/20 0.39
CDK6 Q00534 4/20 0.39
CDK4 P11802 3/20 0.39
ABL1 P00519 5/20 0.38
YES1 P07947 4/20 0.38
NTRK1 P04629 3/20 0.38
PIM1 P11309 3/20 0.38
MAPK1 P28482 3/20 0.38
KDR P35968 3/20 0.38
HIPK1 Q86Z02 3/20 0.38
CCND3 P30281 3/20 0.38
CCND1 P24385 1/20 0.38
SLC2A1 P11166 2/20 0.38
CDK1 P06493 1/20 0.38
CCNE1 P24864 1/20 0.38

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
Hydrochloric Acid SCHEMBL3147026 0.99 CCNA2 (0.42) CCNA2CDK2EGFRTYK2CNR2
SCHEMBL3128560 0.99 CCNA2 (0.44) CCNA2CDK2EGFRTYK2CNR2
Hydrochloric Acid SCHEMBL3143181 0.98 CCNA2 (0.44) CCNA2CDK2EGFRTYK2CNR2
SCHEMBL3137946 0.90 CYP1A1 (0.48) CCNA2CDK2EGFRTYK2METAP1
SCHEMBL3137902 0.90 CDK6 (0.49) CCNA2CDK2EGFRCDK6CDK4
SCHEMBL3136909 0.89 CDK4 (0.42) CCNA2CDK2EGFRCDK6CDK4
Hydrochloric Acid SCHEMBL3134638 0.89 CYP1A1 (0.47) CCNA2CDK2EGFRTYK2METAP1
Hydrochloric Acid SCHEMBL3158986 0.89 CDK6 (0.48) CCNA2CDK2EGFRCDK6CDK4
SCHEMBL3142238 0.83 KARS1 (0.44) CNR2METAP1
SCHEMBL3138419 0.82 HPGDS (0.48) TYK2SLC2A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1742935-B1 POLYCYCLIC PYRAZINES AS POTASSIUM ION CHANNEL MODULATORS ICAGEN INC (US) 2010-02-24 EP claimed
US-7642354-B2 Use treating nervous system disorders, as neuroprotectants, gastrointestinal disorders, cardiovascular disorders; e.g. 2-(5-phenylpyridin-2-ylamino)-6-pyridin-2-ylpyrimidine ICAGEN, INC. (US) 2010-01-05 US claimed
EP-1742935-B1 POLYCYCLIC PYRAZINES AS POTASSIUM ION CHANNEL MODULATORS ICAGEN INC (US) 2010-02-24 EP disclosed
US-7642354-B2 Use treating nervous system disorders, as neuroprotectants, gastrointestinal disorders, cardiovascular disorders; e.g. 2-(5-phenylpyridin-2-ylamino)-6-pyridin-2-ylpyrimidine ICAGEN, INC. (US) 2010-01-05 US disclosed
US-20050239800-A1 Polycyclic pyrazines as potassium ion channel modulators ICAGEN, INC. (US) 2005-10-27 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-20050239800-A1 Polycyclic pyrazines as potassium ion channel modulators KCNJ2, KCNH2, KCNJ1 CCNA2 4273/4885CDK2 3168/4885EGFR 4678/4885

“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.