SCHEMBL4899565

SCHEMBL4899565

O=C1CNCCN1c1ccc(Nc2cccc(-c3nccs3)n2)nc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 1/20 0.39
CDK4 P11802 6/20 0.39
CDK6 Q00534 3/20 0.39
CCND1 P24385 5/20 0.38
CCND3 P30281 3/20 0.38
CCNT1 O60563 2/20 0.38
CDK9 P50750 2/20 0.38
CDK7 P50613 1/20 0.38
CCNH P51946 1/20 0.38
MNAT1 P51948 1/20 0.38
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38
KARS1 Q15046 4/20 0.38
TYK2 P29597 2/20 0.37
PIM1 P11309 2/20 0.37
WEE1 P30291 1/20 0.37
FGFR1 P11362 1/20 0.34
FGFR2 P21802 1/20 0.34
FGFR4 P22455 1/20 0.34
FGFR3 P22607 1/20 0.34

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 SCHEMBL4896600 0.99 MAP4K1 (0.39) MAP4K1CDK4CDK6CCND1CCND3
Hydrochloric Acid SCHEMBL4893173 0.91 KARS1 (0.38) CDK4CDK6CCND1CCND3CCNT1
Hydrochloric Acid SCHEMBL4892965 0.85 PIP4K2A (0.40) MAP4K1CDK4CDK6CCND1CCND3
SCHEMBL4901325 0.85 PIP4K2A (0.38) CDK4CDK6CCND1CCND3CCNT1
SCHEMBL4898764 0.84 CDK4 (0.39) CDK4CDK6CCND1CCND3CCNT1
Hydrochloric Acid SCHEMBL5312807 0.84 HCRTR1 (0.37) CDK4CDK6CCND1CCND3CCNT1
SCHEMBL4903182 0.83 CDK4 (0.40) CDK4CDK6CCND1CCND3CCNT1
Hydrochloric Acid SCHEMBL4902615 0.82 MAP4K1 (0.38) MAP4K1CDK4CDK6CCND1CCND3
SCHEMBL4900079 0.79 CYP1A1 (0.43) CDK4CDK6CCND1CCND3CCNT1
Hydrochloric Acid SCHEMBL27682391 0.78 KARS1 (0.35) CDK4CDK6CCND1CCND3KARS1

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 MAP4K1 498/4885CDK4 2754/4885CDK6 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.