SCHEMBL4903182

SCHEMBL4903182

CN1CCC(=O)N(c2ccc(Nc3cccc(-c4nccs4)n3)nc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 10/20 0.40
CCND1 P24385 9/20 0.40
CDK6 Q00534 9/20 0.40
CCND3 P30281 8/20 0.40
CCNT1 O60563 4/20 0.40
CDK9 P50750 4/20 0.40
CDK7 P50613 2/20 0.40
CCNH P51946 2/20 0.40
MNAT1 P51948 2/20 0.40
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
FLT3 P36888 3/20 0.39
CDK11A Q9UQ88 1/20 0.39
CCNA2 P20248 4/20 0.37
CCNE1 P24864 4/20 0.37
CDK2 P24941 4/20 0.37
CDK1 P06493 1/20 0.36
LYN P07948 1/20 0.35
BTK Q06187 1/20 0.35
WEE1 P30291 1/20 0.35

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
SCHEMBL4898764 0.91 CDK4 (0.39) CDK4CCND1CDK6CCND3CCNT1
SCHEMBL4901325 0.89 PIP4K2A (0.38) CDK4CCND1CDK6CCND3CCNT1
Hydrochloric Acid SCHEMBL4892965 0.89 PIP4K2A (0.40) CDK4CCND1CDK6CCND3CCNT1
Hydrochloric Acid SCHEMBL5312807 0.88 HCRTR1 (0.37) CDK4CCND1CDK6CCND3CCNT1
Hydrochloric Acid SCHEMBL4893173 0.85 KARS1 (0.38) CDK4CCND1CDK6CCND3CCNT1
SCHEMBL4899565 0.83 MAP4K1 (0.39) CDK4CCND1CDK6CCND3CCNT1
Hydrochloric Acid SCHEMBL4901103 0.82 CCND3 (0.37) CDK4CCND1CDK6CCND3CCNT1
Hydrochloric Acid SCHEMBL4896600 0.82 MAP4K1 (0.39) CDK4CCND1CDK6CCND3CCNT1
SCHEMBL4891175 0.82 CDK6 (0.45) CDK4CCND1CDK6CCND3CCNT1
Hydrochloric Acid SCHEMBL4902843 0.81 CDK6 (0.44) CDK4CCND1CDK6CCND3CCNT1

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 6 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 claimed
EP-1737852-A2 POLYCYCLIC PYRIDINES AS POTASSIUM ION CHANNEL MODULATORS Icagen, Inc. (US) 2007-01-03 EP claimed
WO-2005100349-A2 POLYCYCLIC PYRIDINES AS POTASSIUM ION CHANNEL MODULATORS ICAGEN, INC. (US) 2005-10-27 WO claimed
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 CDK4 2754/4885CCND1 4529/4885CDK6 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.