SCHEMBL4338461

SCHEMBL4338461

O=C(NC1(c2ccccc2)CC1)c1nc(Cc2cccnc2)n2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD38 P28907 1/20 0.44
DYRK1A Q13627 6/20 0.44
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
POLB P06746 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NAMPT P43490 1/20 0.39
WNT1 P04628 2/20 0.38
CNR2 P34972 3/20 0.38
CNR1 P21554 2/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
OPRM1 P35372 2/20 0.36
OPRL1 P41146 2/20 0.36
EPHX1 P07099 1/20 0.36
EPHX2 P34913 1/20 0.36

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
SCHEMBL13578301 0.81 DYRK1A (0.52) CD38DYRK1APOLBKDM4EALDH1A1
SCHEMBL4335813 0.80 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL4332080 0.80 DYRK1A (0.44) CD38DYRK1APOLBKDM4EALDH1A1
SCHEMBL4329117 0.79 ROCK2 (0.44) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL4318978 0.78 CNR1 (0.47) CNR2CNR1EPHX2
SCHEMBL4341413 0.78 CNR1 (0.49) CD38DYRK1ACNR2CNR1OPRM1
SCHEMBL4335030 0.78 CNR2 (0.59) PDE4APDE4BPDE4CPDE4DKDM4E
Trifluoroacetic Acid SCHEMBL4329931 0.77 DYRK1A (0.49) CD38DYRK1APOLBALDH1A1WNT1
SCHEMBL4332310 0.77 ATR (0.47) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL4322895 0.77 KDM4E (0.47) POLBKDM4EALDH1A1HSD17B10NAMPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090325936-A1 IMIDAZOPYRIDINE ANALOGS AS CB2 RECEPTOR MODULATORS, USEFUL IN THE TREATMENT OF PAIN, RESPIRATORY AND NON-RESPIRATORY DISEASES MERCK & CO., INC. 2009-12-31 US disclosed
US-20090325936-A1 IMIDAZOPYRIDINE ANALOGS AS CB2 RECEPTOR MODULATORS, USEFUL IN THE TREATMENT OF PAIN, RESPIRATORY AND NON-RESPIRATORY DISEASES MERCK & CO., INC. 2009-12-31 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-20090325936-A1 IMIDAZOPYRIDINE ANALOGS AS CB2 RECEPTOR MODULATORS, USEFUL IN THE TREATMENT OF PAIN, RESPIRATORY AND NON-RESPIRATORY DISEASES CNR2, CNR1, TRPV1 CD38 785/4885DYRK1A 1478/4885PDE4A 522/4885

“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.