SCHEMBL3481603

SCHEMBL3481603

Nc1nc(C2CC2)nc2nc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)cc12

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 19/20 0.64
CNR2 P34972 13/20 0.64
DPP4 P27487 1/20 0.42

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
SCHEMBL3482169 0.78 CNR1 (1.00) CNR1CNR2
SCHEMBL3481904 0.76 CNR1 (0.67) CNR1CNR2
SCHEMBL3481953 0.76 CNR1 (0.61) CNR1CNR2
SCHEMBL3481940 0.71 CNR1 (1.00) CNR1CNR2
SCHEMBL3482231 0.70 CNR1 (0.84) CNR1CNR2
SCHEMBL3479428 0.68 CNR1 (1.00) CNR1CNR2
SCHEMBL3482291 0.68 CNR1 (1.00) CNR1CNR2
SCHEMBL5747451 0.68 CNR1 (0.56) CNR1CNR2DPP4
SCHEMBL3482074 0.67 CNR1 (0.80) CNR1CNR2
SCHEMBL5248916 0.67 CNR1 (0.74) 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 5 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 claimed
US-20100063032-A1 SUBSTITUTED PYRIDO[2,3-D]PYRIMIDINE DERIVATIVES AS CANNABINOID-1 RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. 2010-03-11 US disclosed
US-20100063032-A1 SUBSTITUTED PYRIDO[2,3-D]PYRIMIDINE DERIVATIVES AS CANNABINOID-1 RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. 2010-03-11 US disclosed
US-20100063032-A1 SUBSTITUTED PYRIDO[2,3-D]PYRIMIDINE DERIVATIVES AS CANNABINOID-1 RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. 2010-03-11 US 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 2/4885DPP4 1306/4885

“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.