SCHEMBL4332629

SCHEMBL4332629

O=C(NCc1cnccn1)c1nc(Cc2cccnc2)n2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 3/20 0.48
HSD17B10 Q99714 2/20 0.48
HTT P42858 1/20 0.42
POLB P06746 1/20 0.41
HPGD P15428 3/20 0.41
TSHR P16473 2/20 0.41
METTL3 Q86U44 2/20 0.41
GAA P10253 1/20 0.41
ADORA2A P29274 2/20 0.41
ADORA1 P30542 1/20 0.41
NTRK1 P04629 1/20 0.40
USP2 O75604 1/20 0.39
MMP13 P45452 1/20 0.39
ITK Q08881 1/20 0.39
NAMPT P43490 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL4326314 0.92 HTT (0.47) KDM4EALDH1A1HSD17B10HTTPOLB
SCHEMBL4322895 0.88 KDM4E (0.47) KDM4EALDH1A1HSD17B10HTTPOLB
SCHEMBL4334816 0.84 KDM4E (0.44) KDM4EALDH1A1HSD17B10HTTPOLB
SCHEMBL4318744 0.83 KDM4E (0.46) KDM4EALDH1A1HSD17B10HTTPOLB
SCHEMBL4330972 0.83 ALDH1A1 (0.46) KDM4EALDH1A1HSD17B10HTTPOLB
SCHEMBL4330467 0.83 ALDH1A1 (0.47) KDM4EALDH1A1HSD17B10HTTPOLB
SCHEMBL4335813 0.81 PDE4A (0.52) POLBADORA2AADORA1NAMPT
SCHEMBL4332310 0.80 ATR (0.47) KDM4EALDH1A1HSD17B10HTTTSHR
SCHEMBL4329117 0.80 ROCK2 (0.44) KDM4EALDH1A1HSD17B10HTTHPGD
SCHEMBL4322905 0.78 ATR (0.47) KDM4EALDH1A1HSD17B10HTTADORA2A

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 KDM4E 2430/4885ALDH1A1 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.