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Sugi Predict / Compounds / SCHEMBL3565746

SCHEMBL3565746

SCHEMBL3565746

Cc1cc(-c2ccc(Cl)c(Cl)c2)cc(-n2cnc(I)c2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ COMT P21964 1/20 0.37
▸ GRM2 Q14416 3/20 0.37
▸ AHR P35869 2/20 0.36
▸ CYP1B1 Q16678 1/20 0.36
▸ CNR2 P34972 1/20 0.35
▸ KCNH2 Q12809 2/20 0.34
▸ MAPT P10636 2/20 0.33
▸ PSEN1 P49768 1/20 0.33
▸ PSEN2 P49810 1/20 0.33
▸ APH1B Q8WW43 1/20 0.33
▸ NCSTN Q92542 1/20 0.33
▸ APH1A Q96BI3 1/20 0.33
▸ PSENEN Q9NZ42 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ PDGFRB P09619 1/20 0.33

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
SCHEMBL3566189 0.87 SMN1; SMN2 (0.38) AHRMAPTCYP1A2CYP3A4CYP2C9
SCHEMBL3562308 0.79 CNR2 (0.36) COMTGRM2CNR2KCNH2NPC1
SCHEMBL3562886 0.79 KMO (0.38) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL3568400 0.79 PSEN1 (0.37) GRM2MAPTPSEN1PSEN2APH1B
SCHEMBL4765606 0.78 CYP2A6 (0.45) COMTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL3572478 0.76 MAPT (0.45) COMTGRM2AHRCYP1B1MAPT
SCHEMBL3555776 0.76 AHR (0.50) GRM2AHRCYP1B1KCNH2MAPT
SCHEMBL3559842 0.71 MAP4K4 (0.38) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL3562864 0.70 CYP2C9 (0.36) GRM2KCNH2MAPTCYP1A2CYP3A4
SCHEMBL3559995 0.69 AHR (0.54) GRM2AHRCYP1B1MAPTCYP1A2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2001849-B1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2014-11-26 — — EP disclosed
EP-2468727-A1 Pyridine and pyrimidine derivatives as MGLUR2 antagonists F. Hoffmann-La Roche AG (CH) 2012-06-27 — — EP disclosed
US-8183262-B2 Central nervous system disorders; metabotropic glutamate receptors (mGluR); 2-(4-Pyridin-3-yl-imidazol-1-yl)-4-trifluoromethyl-6-(4-trifluoromethyl-phenyl)-pyrimidine HOFFMANN-LA ROCHE INC. (US) 2012-05-22 — — US disclosed
US-7642264-B2 Phenyl-substituted pyrimidine derivatives as mGluR antagonists HOFFMAN-LA ROCHE INC. (US) 2010-01-05 — — US disclosed
US-20090318474-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR 2 ANTAGONISTS GATTI MCARTHUR SILVIA 2009-12-24 — — US disclosed
US-20070232583-A1 Pyridine and pyrimidine derivatives as mGIuR2 antagonists HOFFMANN-LA ROCHE INC. 2007-10-04 — — 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 (2 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-20070232583-A1 Pyridine and pyrimidine derivatives as mGIuR2 antagonists P2RX2, P2RY2, P2RX1 COMT 3846/4885GRM2 13/4885AHR 2125/4885
US-20090318474-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR 2 ANTAGONISTS GRM2, GRM1, GRM3 COMT 3927/4885GRM2 1/4885AHR 1564/4885

“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.