SCHEMBL3482043

SCHEMBL3482043

N#Cc1cc(-c2ccc(Cl)cc2)c(-c2ccccc2Cl)nc1N

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 19/20 0.67
CNR2 P34972 15/20 0.67
ADORA2A P29274 1/20 0.60
ADORA1 P30542 1/20 0.60

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
SCHEMBL3479342 0.86 CNR1 (0.70) CNR1CNR2ADORA2AADORA1
SCHEMBL3628024 0.81 CNR1 (0.63) CNR1CNR2
SCHEMBL4412951 0.79 CNR1 (0.65) CNR1CNR2
SCHEMBL5359447 0.79 CNR1 (0.70) CNR1CNR2
SCHEMBL4905633 0.77 ALDH1A1 (0.51) CNR1ADORA2AADORA1
SCHEMBL3615711 0.76 CNR1 (0.82) CNR1CNR2
SCHEMBL3481705 0.75 CNR1 (0.55) CNR1CNR2ADORA2AADORA1
SCHEMBL5363177 0.75 CNR1 (0.71) CNR1CNR2
SCHEMBL5355178 0.75 CNR1 (1.00) CNR1CNR2
SCHEMBL3626666 0.74 CNR1 (0.69) CNR1CNR2

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-20100063032-A1 SUBSTITUTED PYRIDO[2,3-D]PYRIMIDINE DERIVATIVES AS CANNABINOID-1 RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. 2010-03-11 US disclosed
EP-2139332-A1 SUBSTITUTED PYRIDO[2,3-D]PYRIMIDINE DERIVATIVES AS CANNABINOID-1 RECEPTOR MODULATORS Merck & Co., Inc. (US) 2010-01-06 EP disclosed
WO-2008121257-A1 SUBSTITUTED PYRIDO[2,3-D]PYRIMIDINE DERIVATIVES AS CANNABINOID-1 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2008-10-09 WO 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-20100063032-A1 SUBSTITUTED PYRIDO[2,3-D]PYRIMIDINE DERIVATIVES AS CANNABINOID-1 RECEPTOR MODULATORS CNR1, CNR2, FAAH CNR1 1/4885CNR2 2/4885ADORA2A 383/4885

“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.