SCHEMBL516990

SCHEMBL516990

Ic1n[nH]c2cccnc12

nearest known ligand 0.50

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 19/20 0.50
ITK Q08881 1/20 0.46

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
SCHEMBL123148 0.75 PDPK1 (0.52) GRM4ITK
SCHEMBL30018038 0.75 GRM4 (0.54) GRM4ITK
SCHEMBL254887 0.75 GRM4 (0.54) GRM4ITK
SCHEMBL29498332 0.75 PDPK1 (0.52) GRM4ITK
SCHEMBL2117743 0.75 GRM4 (0.50) GRM4ITK
SCHEMBL24198014 0.75 GRM4 (0.50) GRM4ITK
SCHEMBL31526891 0.75 GRM4 (0.54) GRM4
SCHEMBL569822 0.75 GRM4 (0.50) GRM4ITK
SCHEMBL21089898 0.75 GRM4 (0.50) GRM4ITK
SCHEMBL2118781 0.75 GRM4 (0.53) GRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110655639-B Segmented copolymer containing pyridine heterocyclic unit and preparation method and application thereof 华南理工大学 2022-07-26 CN claimed
CN-110655639-A Segmented copolymer containing pyridine heterocyclic unit and preparation method and application thereof 华南理工大学 2020-01-07 CN claimed
US-20240368132-A1 ROCK2 INHIBITORS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2024-11-07 US disclosed
EP-4377306-A1 ROCK2 INHIBITORS AND USES THEREOF President and Fellows of Harvard College (US) 2024-06-05 EP disclosed
CN-118055926-A ROCK2 inhibitors and uses thereof 哈佛大学的校长及成员们 2024-05-17 CN disclosed
US-20230202985-A1 Indoles, Indazoles, and Related Analogs for Inhibiting YAP/TAZ-TEAD CISTIM LEUVEN VZW (BE) 2023-06-29 US disclosed
US-20230202985-A1 Indoles, Indazoles, and Related Analogs for Inhibiting YAP/TAZ-TEAD CISTIM LEUVEN VZW (BE) 2023-06-29 US disclosed
WO-2023122782-A2 INDOLES, INDAZOLES, AND RELATED ANALOGS FOR INHIBITING YAP/TAZ-TEAD THE KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2023-06-29 WO disclosed
WO-2023009475-A1 ROCK2 INHIBITORS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-02-02 WO disclosed
CN-110655639-B Segmented copolymer containing pyridine heterocyclic unit and preparation method and application thereof 华南理工大学 2022-07-26 CN disclosed
EP-3368535-B1 HETEROARYL SUBSTITUTED BENZOIC ACIDS AS RORGAMMAT INHIBITORS AND USES THEREOF MERCK SHARP & DOHME (US) 2020-12-02 EP disclosed
US-20070203160-A1 p38 MAP kinase inhibitors and methods for using the same ROCHE PALO ALTO LLC 2007-08-30 US disclosed
CN-1934111-A Heteroaryl-fused pyrazolo derivatives ROCHE PALO ALTO LLC (CH) 2007-03-21 CN disclosed
WO-2007023105-A1 FUSED PYRAZOLE AS p38 MAP KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-03-01 WO disclosed
EP-1720878-A1 HETEROARYL-FUSED PYRAZOLO DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2006-11-15 EP disclosed
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-24 US disclosed
US-20050208582-A1 Pyrazole compounds and pharmaceutical compositions comprising the compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-09-22 US disclosed
US-20050203091-A1 Heteroaryl-fused pyrazolo derivatives and methods for using the same ROCHE PALO ALTO LLC 2005-09-15 US disclosed
WO-2005085248-A1 HETEROARYL-FUSED PYRAZOLO DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2005-09-15 WO disclosed
EP-1510516-A1 PYRAZOLE COMPOUND AND MEDICINAL COMPOSITION CONTAINING THE SAME Eisai Co., Ltd. (JP) 2005-03-02 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 (5 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-20230202985-A1 Indoles, Indazoles, and Related Analogs for Inhibiting YAP/TAZ-TEAD YAP1, TEAD2, TEAD3 GRM4 4703/4885ITK 2671/4885
US-20240368132-A1 ROCK2 INHIBITORS AND USES THEREOF ROCK2, ROCK1, RHOA GRM4 4045/4885ITK 2809/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B GRM4 1386/4885ITK 2351/4885
US-20070203160-A1 p38 MAP kinase inhibitors and methods for using the same MAPKAPK2, MAPK1, MAP3K2 GRM4 2772/4885ITK 1451/4885
US-20050203091-A1 Heteroaryl-fused pyrazolo derivatives and methods for using the same MAP3K1, MAP3K21, MAP3K2 GRM4 1933/4885ITK 1316/4885

“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.