SCHEMBL4902937

SCHEMBL4902937

Cc1cnc(-c2cccc(Nc3ccc(N4CCN(C)CC4)cn3)n2)s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK6 Q00534 16/20 0.49
CCND3 P30281 15/20 0.49
CDK9 P50750 12/20 0.49
CCNK O75909 8/20 0.49
CDK4 P11802 6/20 0.48
CCND1 P24385 6/20 0.48
CCNT1 O60563 5/20 0.46
CCNA2 P20248 4/20 0.46
CDK2 P24941 4/20 0.46
CDK1 P06493 2/20 0.46
CCNB1 P14635 2/20 0.46
CDK7 P50613 2/20 0.46
CCNH P51946 2/20 0.46
CDK11A Q9UQ88 1/20 0.46
CYP3A4 P08684 2/20 0.46
FLT3 P36888 1/20 0.46
CTSC P53634 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 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
SCHEMBL4899105 0.91 CCNA2 (0.46) CDK6CCND3CDK9CCNKCDK4
SCHEMBL4895751 0.90 CCNA2 (0.48) CDK6CCND3CDK9CCNKCDK4
SCHEMBL4902908 0.88 CDK6 (0.50) CDK6CCND3CDK9CCNKCDK4
Hydrochloric Acid SCHEMBL4892083 0.87 CCND3 (0.48) CDK6CCND3CDK9CCNKCDK4
Hydrochloric Acid SCHEMBL27682384 0.87 CDK6 (0.49) CDK6CCND3CDK9CCNKCDK4
Hydrochloric Acid SCHEMBL4902390 0.85 CDK6 (0.47) CDK6CCND3CDK9CCNKCDK4
Hydrochloric Acid SCHEMBL4900784 0.85 CDK6 (0.45) CDK6CCND3CDK9CCNKCDK4
SCHEMBL4891175 0.81 CDK6 (0.45) CDK6CCND3CDK9CCNKCDK4
Hydrochloric Acid SCHEMBL4902843 0.81 CDK6 (0.44) CDK6CCND3CDK9CCNKCDK4
Hydrochloric Acid SCHEMBL4896665 0.79 NPC1 (0.36) CDK2

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 CDK6 2720/4885CCND3 4452/4885CDK9 2935/4885

“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.