SCHEMBL3137902

SCHEMBL3137902

CN1CCN(c2ccc(Nc3cncc(-c4ccccn4)n3)nc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK6 Q00534 13/20 0.49
CCND3 P30281 12/20 0.49
CDK9 P50750 10/20 0.49
CCNK O75909 6/20 0.49
CDK4 P11802 8/20 0.46
CCND1 P24385 6/20 0.46
CDK2 P24941 5/20 0.46
CCNT1 O60563 4/20 0.46
CCNE1 P24864 3/20 0.46
HSF1 Q00613 1/20 0.46
EGFR P00533 3/20 0.46
BTK Q06187 1/20 0.46
CDK7 P50613 1/20 0.45
CCNH P51946 1/20 0.45
MNAT1 P51948 1/20 0.45
CDK5 Q00535 1/20 0.45
CDK5R1 Q15078 1/20 0.45
CCNA2 P20248 4/20 0.44
CDK1 P06493 1/20 0.44
FLT3 P36888 1/20 0.44

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 SCHEMBL3158986 0.99 CDK6 (0.48) CDK6CCND3CDK9CCNKCDK4
SCHEMBL3138726 0.90 CCNA2 (0.43) CDK6CCND3CDK9CCNKCDK4
Hydrochloric Acid SCHEMBL3147026 0.89 CCNA2 (0.42) CDK6CCND3CDK9CCNKCDK4
SCHEMBL3128560 0.89 CCNA2 (0.44) CDK6CCND3CDK4CCND1CDK2
SCHEMBL3136909 0.88 CDK4 (0.42) CDK6CCND3CDK9CCNKCDK4
Hydrochloric Acid SCHEMBL3143181 0.88 CCNA2 (0.44) CDK6CCND3CDK4CCND1CDK2
SCHEMBL3137946 0.87 CYP1A1 (0.48) CDK6CCND3CDK9CCNKCDK4
Hydrochloric Acid SCHEMBL3134638 0.86 CYP1A1 (0.47) CDK6CCND3CDK9CCNKCDK4
SCHEMBL3130961 0.83 CDK4 (0.39) CDK6CCND3CDK9CCNKCDK4
Hydrochloric Acid SCHEMBL3142634 0.83 CDK4 (0.39) CDK6CCND3CDK9CCNKCDK4

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 CDK6 3545/4885CCND3 4481/4885CDK9 4050/4885

“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.