SCHEMBL4895751

SCHEMBL4895751

Cc1cnc(-c2cccc(Nc3ccc(N4CCCCC4)cn3)n2)s1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 5/20 0.48
CDK2 P24941 5/20 0.48
CDK6 Q00534 12/20 0.44
CCND3 P30281 12/20 0.44
CDK4 P11802 9/20 0.44
CCND1 P24385 9/20 0.44
EGFR P00533 3/20 0.41
TYK2 P29597 3/20 0.39
CDK9 P50750 8/20 0.39
CCNK O75909 4/20 0.39
CCNT1 O60563 4/20 0.39
CDK7 P50613 4/20 0.39
CCNH P51946 4/20 0.39
CDK1 P06493 3/20 0.39
CCNB1 P14635 3/20 0.39
CCND2 P30279 1/20 0.39

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
SCHEMBL4899105 0.99 CCNA2 (0.46) CCNA2CDK2CDK6CCND3CDK4
SCHEMBL4902937 0.90 CDK6 (0.49) CCNA2CDK2CDK6CCND3CDK4
Hydrochloric Acid SCHEMBL4892083 0.88 CCND3 (0.48) CCNA2CDK2CDK6CCND3CDK4
SCHEMBL4893114 0.87 CDK2 (0.45) CCNA2CDK2CDK6CCND3CDK4
SCHEMBL4904679 0.86 CDK4 (0.46) CCNA2CDK2CDK6CCND3CDK4
SCHEMBL27662832 0.86 CCNA2 (0.41) CCNA2CDK2CDK6CCND3CDK4
Hydrochloric Acid SCHEMBL27682318 0.86 CDK2 (0.45) CCNA2CDK2CDK6CCND3CDK4
SCHEMBL4892130 0.85 CCNA2 (0.44) CCNA2CDK2CDK6CCND3CDK4
Hydrochloric Acid SCHEMBL4899525 0.85 CCNA2 (0.41) CCNA2CDK2CDK6CCND3CDK4
Hydrochloric Acid SCHEMBL28760948 0.85 CDK4 (0.46) CCNA2CDK2CDK6CCND3CDK4

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 3 patents. 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
EP-1737852-A2 POLYCYCLIC PYRIDINES AS POTASSIUM ION CHANNEL MODULATORS Icagen, Inc. (US) 2007-01-03 EP disclosed
WO-2005100349-A2 POLYCYCLIC PYRIDINES AS POTASSIUM ION CHANNEL MODULATORS ICAGEN, INC. (US) 2005-10-27 WO 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 CCNA2 4359/4885CDK2 3182/4885CDK6 2720/4885

“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.