SCHEMBL4329012

SCHEMBL4329012

O=C(Nc1nc2ccccc2[nH]1)c1nc(Cc2cccnc2)n2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 3/20 0.48
ALDH1A1 P00352 2/20 0.44
HSD17B10 Q99714 2/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 9/20 0.44
NPC1 O15118 9/20 0.44
PKM P14618 5/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
MAOB P27338 1/20 0.44
ADORA2A P29274 1/20 0.44
IRAK1 P51617 2/20 0.44
KLF5 Q13887 2/20 0.44
MAPT P10636 2/20 0.43
RECQL P46063 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TP53 P04637 2/20 0.41
LMNA P02545 2/20 0.41
KDM4E B2RXH2 2/20 0.41
SCD O00767 1/20 0.41

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
SCHEMBL4335813 0.82 PDE4A (0.52) RAB9ANPC1PKMSMN1; SMN2ADORA2A
SCHEMBL4329117 0.81 ROCK2 (0.44) ALDH1A1HSD17B10MAPK1RAB9ANPC1
SCHEMBL4332310 0.80 ATR (0.47) ALDH1A1HSD17B10RAB9ANPC1SMN1; SMN2
SCHEMBL4332695 0.78 RAB9A (0.46) ALDH1A1HSD17B10RAB9ANPC1SMN1; SMN2
SCHEMBL4320261 0.78 ATR (0.51) ALDH1A1RAB9ANPC1SMN1; SMN2MAOB
SCHEMBL4322905 0.78 ATR (0.47) ALDH1A1HSD17B10MAPK1ADORA2AKDM4E
SCHEMBL4322895 0.78 KDM4E (0.47) ALDH1A1HSD17B10ADORA2AKMT2ALMNA
SCHEMBL4334597 0.77 PABPC1 (0.48) ALDH1A1HSD17B10RAB9ANPC1SMN1; SMN2
SCHEMBL4324559 0.77 HTT (0.52) ALDH1A1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL4326402 0.77 NPC1 (0.51) ALDH1A1NPC1SMN1; SMN2MAPTMEN1

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 IRAK4 426/4885ALDH1A1 2838/4885HSD17B10 4386/4885

“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.