SCHEMBL3137946

SCHEMBL3137946

c1ccc(-c2cncc(Nc3ccc(N4CCOCC4)cn3)n2)nc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP1B1 Q16678 1/20 0.48
CCND3 P30281 2/20 0.46
CDK6 Q00534 2/20 0.46
CCNK O75909 1/20 0.46
CDK9 P50750 1/20 0.46
CBFB Q13951 1/20 0.46
AR P10275 1/20 0.46
LYN P07948 1/20 0.45
SRC P12931 1/20 0.45
BRAF P15056 1/20 0.45
TYK2 P29597 3/20 0.44
EGFR P00533 2/20 0.44
METAP1 P53582 1/20 0.43
MAPK1 P28482 2/20 0.42
NPC1 O15118 2/20 0.42
MAPT P10636 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 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
Hydrochloric Acid SCHEMBL3134638 0.99 CYP1A1 (0.47) CYP1A1CYP1A2CYP1B1CCND3CDK6
SCHEMBL3138726 0.90 CCNA2 (0.43) CCND3CDK6CCNKCDK9TYK2
SCHEMBL3128560 0.89 CCNA2 (0.44) CCND3CDK6TYK2EGFRMETAP1
Hydrochloric Acid SCHEMBL3147026 0.89 CCNA2 (0.42) CCND3CDK6CCNKCDK9TYK2
Hydrochloric Acid SCHEMBL3143181 0.88 CCNA2 (0.44) CCND3CDK6TYK2EGFRMETAP1
SCHEMBL3137902 0.87 CDK6 (0.49) CCND3CDK6CCNKCDK9EGFR
SCHEMBL3136909 0.86 CDK4 (0.42) CCND3CDK6CCNKCDK9EGFR
Hydrochloric Acid SCHEMBL3158986 0.86 CDK6 (0.48) CCND3CDK6CCNKCDK9EGFR
SCHEMBL5256909 0.82 KARS1 (0.47) CCND3CDK6CCNKCDK9LYN
SCHEMBL6367675 0.81 CYP1A1 (0.70) CYP1A1CYP1A2CYP1B1ARNPC1

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 CYP1A1 3465/4885CYP1A2 3165/4885CYP1B1 3633/4885

“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.