SCHEMBL6203026

SCHEMBL6203026

CCOC(=O)c1c(C)nc(C#Cc2ccc(N)cc2)n1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
MAOA P21397 1/20 0.48
PDE4D Q08499 1/20 0.43
MAPK1 P28482 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
GRM5 P41594 2/20 0.40
KMT2A Q03164 1/20 0.39
MAPT P10636 2/20 0.39
TP53 P04637 2/20 0.39
RAB9A P51151 2/20 0.39
HCRTR1 O43613 1/20 0.39
ALOX15 P16050 1/20 0.39
KDM4E B2RXH2 6/20 0.38
HSD17B10 Q99714 4/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 3/20 0.38
GABRA2 P47869 2/20 0.38
GABRB2 P47870 2/20 0.38

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
SCHEMBL6202119 0.88 GABRA2 (0.44) LMNACYP1A2MAPK1SMN1; SMN2GRM5
SCHEMBL6199786 0.88 GRM5 (0.52) LMNAMAPK1SMN1; SMN2GRM5KMT2A
SCHEMBL6198642 0.88 GRM5 (0.50) LMNACYP1A2CYP3A4MAPK1SMN1; SMN2
SCHEMBL6201462 0.86 ADORA3 (0.47) LMNACYP1A2CYP3A4MAPK1SMN1; SMN2
SCHEMBL6208278 0.81 LMNA (0.37) LMNACYP1A2CYP3A4MAOAPDE4D
SCHEMBL6200156 0.81 GRM5 (0.43) CYP1A2CYP3A4MAPK1SMN1; SMN2GRM5
SCHEMBL6198861 0.78 GRM5 (0.44) LMNAMAPK1GRM5KMT2AMAPT
SCHEMBL6201322 0.78 SMN1; SMN2 (0.49) LMNACYP1A2CYP3A4MAPK1SMN1; SMN2
SCHEMBL6200432 0.78 HPGD (0.44) LMNAMAPK1SMN1; SMN2GRM5KMT2A
SCHEMBL6199750 0.77 MAPK1 (0.43) LMNACYP1A2MAPK1SMN1; SMN2GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1349839-B8 PHENYLETHENYL OR PHENYLETHINYL DERIVATIVES AS GLUTAMATE RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2005-06-22 EP claimed
EP-1349839-B1 PHENYLETHENYL OR PHENYLETHINYL DERIVATIVES AS GLUTAMATE RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2005-02-09 EP claimed
EP-1349839-A1 PHENYLETHENYL OR PHENYLETHINYL DERIVATIVES AS GLUTAMATE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2003-10-08 EP claimed
US-20020128263-A1 Phenylethynyl and styryl derivatives of imidazole and fused ring heterocycles F.HOFFMANN-LA ROCHE AG (CH) 2002-09-12 US claimed
WO-2002046166-A1 PHENYLETHENYL OR PHENYLETHINYL DERIVATIVES AS GLUTAMATE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2002-06-13 WO claimed
US-6972299-B2 Phenylethynyl and styryl derivatives of imidazole and fused ring heterocycles HOFFMANN-LA ROCHE INC. (US) 2005-12-06 US disclosed
US-6927232-B2 Phenylethynyl and styryl derivatives of imidazole and fused ring heterocycles HOFFMAN-LA ROCHE INC. (US) 2005-08-09 US disclosed
EP-1349839-B8 PHENYLETHENYL OR PHENYLETHINYL DERIVATIVES AS GLUTAMATE RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2005-06-22 EP disclosed
US-20050131043-A1 Phenylethynyl and styryl derivatives of imidazole and fused ring heterocycles MUTEL VINCENT (FR) 2005-06-16 US disclosed
EP-1349839-B1 PHENYLETHENYL OR PHENYLETHINYL DERIVATIVES AS GLUTAMATE RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2005-02-09 EP disclosed
US-6706707-B2 TREATMENT OR PREVENTION OF MGLUR5 RECEPTOR MEDIATED DISORDERS. HOFFMAN-LA ROCHE INC. 2004-03-16 US disclosed
US-20030225070-A1 Phenylethynyl and styryl derivatives of imidazole and fused ring heterocycles MUTEL VINCENT (FR) 2003-12-04 US disclosed
US-20030208082-A1 Phenylethynyl and styryl derivatives of imidazole and fused ring heterocycles MUTEL VINCENT (FR) 2003-11-06 US disclosed
EP-1349839-A1 PHENYLETHENYL OR PHENYLETHINYL DERIVATIVES AS GLUTAMATE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2003-10-08 EP disclosed
US-20020128263-A1 Phenylethynyl and styryl derivatives of imidazole and fused ring heterocycles F.HOFFMANN-LA ROCHE AG (CH) 2002-09-12 US disclosed
WO-2002046166-A1 PHENYLETHENYL OR PHENYLETHINYL DERIVATIVES AS GLUTAMATE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2002-06-13 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 (4 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-20050131043-A1 Phenylethynyl and styryl derivatives of imidazole and fused ring heterocycles GRM5, GRIK5, GRM6 LMNA 3936/4885CYP1A2 2888/4885CYP3A4 1589/4885
US-20030208082-A1 Phenylethynyl and styryl derivatives of imidazole and fused ring heterocycles GRM5, GRIK5, GRM1 LMNA 4479/4885CYP1A2 2722/4885CYP3A4 1634/4885
US-20020128263-A1 Phenylethynyl and styryl derivatives of imidazole and fused ring heterocycles GRM5, GRIK5, GRM1 LMNA 4479/4885CYP1A2 2722/4885CYP3A4 1634/4885
US-20030225070-A1 Phenylethynyl and styryl derivatives of imidazole and fused ring heterocycles GRM5, GRIK5, HRH4 LMNA 4313/4885CYP1A2 2215/4885CYP3A4 1418/4885

“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.