SCHEMBL6207971

SCHEMBL6207971

C#Cc1cn(C)nc1C.c1cc2cc-2c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.35
MAPT P10636 4/20 0.35
RAB9A P51151 4/20 0.35
LMNA P02545 2/20 0.35
KMT2A Q03164 5/20 0.33
USP30 Q70CQ3 1/20 0.33
COMT P21964 2/20 0.32
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 2/20 0.32
PIK3CD O00329 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CB P42338 1/20 0.31
PIK3CG P48736 1/20 0.31
PRKDC P78527 1/20 0.31
HSD17B2 P37059 1/20 0.31
BRD4 O60885 1/20 0.31
NPC1 O15118 3/20 0.31
TMEM97 Q5BJF2 1/20 0.31
TP53 P04637 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL16630476 0.86
SCHEMBL3058253 0.81 TSHR (0.39) MAPTRAB9AKMT2AALDH1A1MEN1
SCHEMBL11909276 0.67
SCHEMBL28493060 0.67 TSHR (0.45) KMT2AALDH1A1MEN1HSD17B2
SCHEMBL2517327 0.66
SCHEMBL4355665 0.66
SCHEMBL3054362 0.66 DYRK1A (0.41) MAPTRAB9AKMT2AALDH1A1MEN1
SCHEMBL15344193 0.66 JMJD6 (0.45) SMN1; SMN2RAB9AKMT2AUSP30COMT
SCHEMBL26672286 0.65
Propyne SCHEMBL27606886 0.64

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
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-20040215284-A1 Treatment of neuromuscular dysfunction of the lower urinary tract with selective mGlu5 antagonists RECORDATI S.A. 2004-10-28 US 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 SMN1; SMN2 2192/4885MAPT 1568/4885RAB9A 1925/4885
US-20030208082-A1 Phenylethynyl and styryl derivatives of imidazole and fused ring heterocycles GRM5, GRIK5, GRM1 SMN1; SMN2 2523/4885MAPT 2207/4885RAB9A 2060/4885
US-20020128263-A1 Phenylethynyl and styryl derivatives of imidazole and fused ring heterocycles GRM5, GRIK5, GRM1 SMN1; SMN2 2523/4885MAPT 2207/4885RAB9A 2060/4885
US-20030225070-A1 Phenylethynyl and styryl derivatives of imidazole and fused ring heterocycles GRM5, GRIK5, HRH4 SMN1; SMN2 2911/4885MAPT 2507/4885RAB9A 2147/4885

“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.