SCHEMBL4892087

SCHEMBL4892087

O=C1CCCCN1c1ccc(Nc2cccc(-n3cccn3)n2)nc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.37
HCRTR1 O43613 4/20 0.37
HCRTR2 O43614 4/20 0.37
F10 P00742 3/20 0.37
MAP4K1 Q92918 1/20 0.36
MEN1 O00255 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 1/20 0.35
AKR1C3 P42330 1/20 0.35
HTR6 P50406 1/20 0.34
CCNT1 O60563 1/20 0.34
CDK4 P11802 1/20 0.34
CCND1 P24385 1/20 0.34
CCND3 P30281 1/20 0.34
CDK7 P50613 1/20 0.34
CDK9 P50750 1/20 0.34
CCNH P51946 1/20 0.34
MNAT1 P51948 1/20 0.34
CDK6 Q00534 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 SCHEMBL4902647 0.83 CDK4 (0.40) CCNT1CDK4CCND1CCND3CDK7
SCHEMBL4902868 0.77 CCND3 (0.47) CCNT1CDK4CCND1CCND3CDK7
SCHEMBL4901325 0.75 PIP4K2A (0.38) HCRTR1HCRTR2F10AKR1C3HTR6
SCHEMBL4903017 0.75 F10 (0.40) F10TSHRAKR1C3HTR6CCNT1
Hydrochloric Acid SCHEMBL5312807 0.74 HCRTR1 (0.37) HCRTR1HCRTR2F10AKR1C3HTR6
SCHEMBL4902825 0.73 HPGDS (0.42) MEN1TSHRKMT2AMAPTAKR1C3
SCHEMBL4902508 0.73 ADORA2A (0.45) MEN1KMT2AADORA2A
SCHEMBL4892339 0.73 ADORA2A (0.40) HCRTR1MEN1KMT2AMAPTCDK9
SCHEMBL4900680 0.73 NOTUM (0.42) HCRTR1MEN1TSHRKMT2AMAPT
SCHEMBL4902033 0.73 KDM4E (0.45) MEN1KMT2AMAPTTYK2ADORA2A

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 USP30 3938/4885HCRTR1 2726/4885HCRTR2 1689/4885

“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.