SCHEMBL4629677

SCHEMBL4629677

Cc1cc(C#Cc2nc(C)n(-c3ccc(F)cc3)c2C)ccn1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 19/20 0.78
KCNH2 Q12809 2/20 0.78
ADRB3 P13945 1/20 0.57
TSPO P30536 1/20 0.57
TMEM97 Q5BJF2 1/20 0.57
SIGMAR1 Q99720 1/20 0.57
GPR35 Q9HC97 1/20 0.57
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
GABRB2 P47870 1/20 0.39
GABRA4 P48169 1/20 0.39
GABRE P78334 1/20 0.39
GABRA6 Q16445 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
Basimglurant SCHEMBL29377966 0.88 GRM5 (1.00) GRM5KCNH2ADRB3TSPOTMEM97
Basimglurant SCHEMBL560590 0.88 GRM5 (1.00) GRM5KCNH2ADRB3TSPOTMEM97
SCHEMBL4630072 0.85 GRM5 (0.58) GRM5KCNH2ADRB3TSPOTMEM97
SCHEMBL608527 0.78 GRM5 (0.83) GRM5KCNH2ADRB3TSPOTMEM97
SCHEMBL607722 0.78 GRM5 (0.82) GRM5KCNH2ADRB3TSPOTMEM97
SCHEMBL607411 0.78 GRM5 (0.82) GRM5KCNH2ADRB3TSPOTMEM97
SCHEMBL607932 0.75 GRM5 (0.78) GRM5KCNH2ADRB3TSPOTMEM97
SCHEMBL608562 0.75 GRM5 (0.78) GRM5KCNH2ADRB3TSPOTMEM97
SCHEMBL607850 0.75 GRM5 (0.78) GRM5KCNH2ADRB3TSPOTMEM97
SCHEMBL609394 0.75 GRM5 (0.78) GRM5KCNH2ADRB3TSPOTMEM97

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1606277-B8 IMIDAZOL-4-YL-ETHYNYL-PYRIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-10-15 EP claimed
EP-1606277-B1 IMIDAZOL-4-YL-ETHYNYL-PYRIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-05-14 EP claimed
US-7153874-B2 Imidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2006-12-26 US claimed
EP-1606277-A1 IMIDAZOL-4-YL-ETHYNYL-PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-12-21 EP claimed
US-20040229917-A1 Imidazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 2004-11-18 US claimed
WO-2004080998-A1 IMIDAZOL-4-YL-ETHYNYL-PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-09-23 WO claimed
US-20230277513-A1 METHODS OF TREATMENT OF TUBEROUS SCLEROSIS COMPLEX NOEMA PHARMA AG (CH) 2023-09-07 US disclosed
US-11684613-B2 Methods of treatment of tuberous sclerosis complex NOEMA PHARMA AG (CH) 2023-06-27 US disclosed
US-20230172922-A1 METHODS OF TREATMENT OF TRIGEMINAL NEURALGIA NOEMA PHARMA AG (CH) 2023-06-08 US disclosed
EP-1606277-B8 IMIDAZOL-4-YL-ETHYNYL-PYRIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-10-15 EP disclosed
EP-1606277-B1 IMIDAZOL-4-YL-ETHYNYL-PYRIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-05-14 EP disclosed
US-7153874-B2 Imidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2006-12-26 US disclosed
EP-1606277-A1 IMIDAZOL-4-YL-ETHYNYL-PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-12-21 EP disclosed
US-20040229917-A1 Imidazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 2004-11-18 US disclosed
WO-2004080998-A1 IMIDAZOL-4-YL-ETHYNYL-PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-09-23 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-20230277513-A1 METHODS OF TREATMENT OF TUBEROUS SCLEROSIS COMPLEX GRM5, GRIK5, GRM2 GRM5 1/4885KCNH2 2057/4885ADRB3 1486/4885
US-11684613-B2 Methods of treatment of tuberous sclerosis complex GRM5, GRIK5, GRM2 GRM5 1/4885KCNH2 2057/4885ADRB3 1486/4885
US-20040229917-A1 Imidazole derivatives GRIK4, GRIA4, GRIK5 GRM5 10/4885KCNH2 393/4885ADRB3 918/4885
US-20230172922-A1 METHODS OF TREATMENT OF TRIGEMINAL NEURALGIA GRM5, GRIK5, GPR18 GRM5 1/4885KCNH2 679/4885ADRB3 757/4885

“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.