SCHEMBL4334816

SCHEMBL4334816

O=C(NCc1ncccc1F)c1nc(Cc2cccnc2)n2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ADORA2A P29274 4/20 0.40
CNR2 P34972 1/20 0.40
VNN1 O95497 1/20 0.40
POLB P06746 2/20 0.39
ADORA1 P30542 2/20 0.39
GAA P10253 1/20 0.39
SLC40A1 Q9NP59 3/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL4322895 0.88 KDM4E (0.47) KDM4EALDH1A1HSD17B10HTTNPSR1
SCHEMBL4330972 0.86 ALDH1A1 (0.46) KDM4EALDH1A1HSD17B10HTTSMN1; SMN2
SCHEMBL4326314 0.86 HTT (0.47) KDM4EALDH1A1HSD17B10HTTNPSR1
SCHEMBL4332629 0.84 KDM4E (0.48) KDM4EALDH1A1HSD17B10HTTADORA2A
SCHEMBL4318744 0.81 KDM4E (0.46) KDM4EALDH1A1HSD17B10HTTNPSR1
SCHEMBL4330467 0.80 ALDH1A1 (0.47) KDM4EALDH1A1HSD17B10HTTADORA2A
SCHEMBL4332310 0.80 ATR (0.47) KDM4EALDH1A1HSD17B10HTTSMN1; SMN2
SCHEMBL4335813 0.78 PDE4A (0.52) SMN1; SMN2ADORA2APOLBADORA1
SCHEMBL4333097 0.78 ADORA2A (0.45) SMN1; SMN2ADORA2ACNR2ADORA1SLC40A1
SCHEMBL4329117 0.77 ROCK2 (0.44) KDM4EALDH1A1HSD17B10HTTNPSR1

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.