SCHEMBL515210

SCHEMBL515210

COCc1ccccc1C#N

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
TSHR P16473 2/20 0.48
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
FFAR1 O14842 2/20 0.44
GAA P10253 2/20 0.44
PLAU P00749 1/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAOB P27338 1/20 0.43
KDM4E B2RXH2 1/20 0.42
CYP19A1 P11511 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
Thianthrene SCHEMBL30504876 0.89 ALDH1A1 (0.42) ALDH1A1TSHRRAB9ANPC1MEN1
SCHEMBL6668462 0.83 FFAR1 (0.46) ALDH1A1TSHRRAB9ANPC1MEN1
SCHEMBL30415342 0.82 TSHR (0.41) ALDH1A1TSHRMEN1KMT2AFFAR1
SCHEMBL31200785 0.81 ALDH1A1 (0.38) ALDH1A1TSHRRAB9ANPC1MEN1
SCHEMBL9948155 0.81 ALDH1A1 (0.38) ALDH1A1TSHRRAB9ANPC1MEN1
SCHEMBL14081999 0.81 CYP1A2 (0.51) ALDH1A1TSHRRAB9ANPC1KMT2A
SCHEMBL16959910 0.80 ALDH1A1 (0.37) ALDH1A1TSHRRAB9ANPC1MEN1
SCHEMBL515209 0.79 FFAR1 (0.44) ALDH1A1TSHRRAB9ANPC1MEN1
SCHEMBL1715776 0.79 IDO1 (0.50) ALDH1A1RAB9AFFAR1PLAUHTT
SCHEMBL9527621 0.79 FFAR1 (0.43) ALDH1A1TSHRRAB9ANPC1MEN1

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 103 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12415795-B2 4-(3-cyanophenyl)-6-pyridinylpyrimidine mGlu5 modulators NXERA PHARMA UK LIMITED (GB) 2025-09-16 US disclosed
EP-4419532-A1 FUSED BICYCLIC HETEROARYL COMPOUNDS USEFUL AS NLRP3 INHIBITORS F. Hoffmann-La Roche AG (CH) 2024-08-28 EP disclosed
US-20240092754-A1 4-(3-CYANOPHENYL)-6-PYRIDINYLPYRIMIDINE MGLU5 MODULATORS NXERA PHARMA UK LIMITED (GB) 2024-03-21 US disclosed
WO-2023210623-A1 HALOALKYL SULFONE ANILIDE COMPOUND AND HERBICIDE CONTAINING SAME 株式会社エス・ディー・エス バイオテック 2023-11-02 WO disclosed
US-20230227425-A1 REAGENTS AND PROCESS FOR DIRECT C-H FUNCTIONALIZATION STUDIENGESELLSCHAFT KOHLE MBH (DE) 2023-07-20 US disclosed
EP-3686197-B1 2-SUBSTITUTED PYRAZOLE AMINO-4-SUBSTITUTED AMINO-5-PYRIMIDINE FORMAMIDE COMPOUND, COMPOSITION, AND APPLICATION THEREOF BEIJING SCITECH MQ PHARMACEUTICALS LTD (CN) 2023-06-21 EP disclosed
EP-3686197-B1 2-SUBSTITUTED PYRAZOLE AMINO-4-SUBSTITUTED AMINO-5-PYRIMIDINE FORMAMIDE COMPOUND, COMPOSITION, AND APPLICATION THEREOF BEIJING SCITECH MQ PHARMACEUTICALS LTD (CN) 2023-06-21 EP disclosed
US-11680053-B2 Methods of treatment using 4-(3-cyanophenyl)-6-pyridinylpyrimidine mGlu5 modulators HEPTARES THERAPEUTICS LIMITED (GB) 2023-06-20 US disclosed
WO-2023066825-A1 FUSED BICYCLIC HETEROARYL COMPOUNDS USEFUL AS NLRP3 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2023-04-27 WO disclosed
US-11584732-B2 Methods of treatment using 4-(3-cyanophenyl)-6-pyridinylpyrimidine mGlu5 modulators HEPTARES THERAPEUTICS LIMITED (GB) 2023-02-21 US disclosed
EP-1678185-A1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 EP disclosed
US-20060128760-A1 Use of mglur5 antagonists for the treatment of gerd ASTRAZENECA AB 2006-06-15 US disclosed
US-20060069282-A1 Process for producing aromatic nitrile compound IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2006-03-30 US disclosed
US-20060014962-A1 Thiadiazole compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-01-19 US disclosed
CN-1714074-A Method for producing aromatic nitrile compound IHARA CHEMICAL IND CO (JP) 2005-12-28 CN disclosed
US-20050215578-A1 Thiadiazole compounds and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-09-29 US disclosed
EP-1555257-A1 PROCESS FOR PRODUCING AROMATIC NITRILE COMPOUND IHARA CHEMICAL INDUSTRY Co., Ltd. (JP) 2005-07-20 EP disclosed
EP-1550661-A1 THIADIAZOLE COMPOUND AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2005-07-06 EP disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 WO disclosed
EP-1475374-A1 THIADIAZOLE COMPOUNDS AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-11-10 EP 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 (9 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-20230227425-A1 REAGENTS AND PROCESS FOR DIRECT C-H FUNCTIONALIZATION CFH, DOHH, CTSH ALDH1A1 283/4885TSHR 2920/4885RAB9A 1649/4885
US-20050215578-A1 Thiadiazole compounds and use thereof C5, C3AR1, TH ALDH1A1 654/4885TSHR 332/4885RAB9A 1998/4885
US-11680053-B2 Methods of treatment using 4-(3-cyanophenyl)-6-pyridinylpyrimidine mGlu5 modulators GRM5, GRM2, GRM6 ALDH1A1 1935/4885TSHR 705/4885RAB9A 2375/4885
US-20060128760-A1 Use of mglur5 antagonists for the treatment of gerd GRM5, GRIK5, GRM1 ALDH1A1 3091/4885TSHR 366/4885RAB9A 1923/4885
US-11584732-B2 Methods of treatment using 4-(3-cyanophenyl)-6-pyridinylpyrimidine mGlu5 modulators GRM5, GRM2, GRM6 ALDH1A1 1935/4885TSHR 705/4885RAB9A 2375/4885
US-20060069282-A1 Process for producing aromatic nitrile compound ODC1, ALKBH3, GNMT ALDH1A1 513/4885TSHR 3084/4885RAB9A 3560/4885
US-20060014962-A1 Thiadiazole compound and use thereof CBR3, TH, CYP2E1 ALDH1A1 279/4885TSHR 477/4885RAB9A 1437/4885
US-12415795-B2 4-(3-cyanophenyl)-6-pyridinylpyrimidine mGlu5 modulators GRM5, GRM6, GRM2 ALDH1A1 2156/4885TSHR 673/4885RAB9A 1439/4885
US-20240092754-A1 4-(3-CYANOPHENYL)-6-PYRIDINYLPYRIMIDINE MGLU5 MODULATORS GRM5, GRM6, GRM2 ALDH1A1 2156/4885TSHR 673/4885RAB9A 1439/4885

“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.