SCHEMBL3481878

SCHEMBL3481878

O=c1c2cc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3Cl)nc2nc(C2CC2)n1Cc1ncon1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 19/20 0.61
CNR2 P34972 18/20 0.61
SLC2A2 P11168 1/20 0.39
EGFR P00533 1/20 0.39
ALOX5 P09917 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
GABRA1 P14867 1/20 0.39
ADRA2C P18825 1/20 0.39
MAPK3 P27361 1/20 0.39
OPRL1 P41146 1/20 0.39
SLC6A3 Q01959 1/20 0.39
SLC18A2 Q05940 1/20 0.39
MAPK14 Q16539 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39
SIGMAR1 Q99720 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
SCHEMBL3481953 0.77 CNR1 (0.61) CNR1CNR2
SCHEMBL3482323 0.76 CNR1 (1.00) CNR1CNR2
SCHEMBL3481904 0.70 CNR1 (0.67) CNR1CNR2
SCHEMBL3481603 0.67 CNR1 (0.64) CNR1CNR2
SCHEMBL13433817 0.63 CNR1 (0.77) CNR1CNR2
SCHEMBL3622347 0.61 CNR1 (0.76) CNR1CNR2EGFRALOX5ADORA3
SCHEMBL3482312 0.61 CNR1 (1.00) CNR1CNR2
SCHEMBL3481895 0.61 CNR1 (1.00) CNR1CNR2
SCHEMBL3619248 0.61 CNR1 (0.74) CNR1CNR2EGFRALOX5ADORA3
SCHEMBL3624453 0.61 CNR1 (0.64) CNR1CNR2EGFRALOX5ADORA3

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 2/4885SLC2A2 3202/4885

“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.