SCHEMBL4332080

SCHEMBL4332080

O=C(NC1(c2ccccc2)CC1)c1nc(C(=O)c2cccnc2)n2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.44
VNN1 O95497 2/20 0.42
CD38 P28907 1/20 0.41
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPK8 P45983 5/20 0.39
MAST3 O60307 1/20 0.39
PTGS2 P35354 1/20 0.38
MAPT P10636 2/20 0.38
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.37

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 0.82 DYRK1A (0.52) DYRK1AVNN1CD38CNR1CNR2
SCHEMBL4331149 0.82 CNR2 (0.61) CNR1CNR2TSHR
SCHEMBL4338461 0.80 CD38 (0.44) DYRK1ACD38CNR1CNR2ALDH1A1
SCHEMBL4341413 0.79 CNR1 (0.49) DYRK1ACD38CNR1CNR2SMN1; SMN2
Trifluoroacetic Acid SCHEMBL4329931 0.78 DYRK1A (0.49) DYRK1ACD38ALDH1A1SMN1; SMN2POLB
SCHEMBL13578300 0.77 CD38 (0.45) DYRK1ACD38CNR2ALDH1A1KDM4E
SCHEMBL4333065 0.77 HPGD (0.46) DYRK1ACD38CNR1CNR2ALDH1A1
SCHEMBL4326575 0.76 CD38 (0.41) DYRK1ACD38CNR1CNR2ALDH1A1
SCHEMBL13578311 0.74 CNR2 (0.61) DYRK1ACD38CNR1CNR2MAPK8
Trifluoroacetic Acid SCHEMBL4329692 0.73 CD38 (0.42) DYRK1ACD38CNR2SMN1; SMN2MAPK8

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-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
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 DYRK1A 1478/4885VNN1 2214/4885CD38 785/4885

“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.