Sugi Predict

Sugi Predict / Compounds / SCHEMBL1925278

SCHEMBL1925278

SCHEMBL1925278

Cc1cc(CC#N)ccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 1/20 0.46
▸ UHRF1 Q96T88 1/20 0.45
▸ KCNQ2 O43526 1/20 0.44
▸ ENPP2 Q13822 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ MMP3 P08254 1/20 0.36
▸ FFAR1 O14842 1/20 0.36
▸ ABCB1 P08183 1/20 0.35
▸ ABCG2 Q9UNQ0 1/20 0.35
▸ TYMS P04818 1/20 0.35
▸ NOS3 P29474 1/20 0.34
▸ NOS1 P29475 1/20 0.34
▸ NOS2 P35228 1/20 0.34
▸ DYRK1A Q13627 1/20 0.34
▸ TGFBR1 P36897 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ AAK1 Q2M2I8 1/20 0.33
▸ FLT1 P17948 1/20 0.33
▸ KDR P35968 1/20 0.33

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
SCHEMBL29841095 1.00 GRM5 (0.46) GRM5UHRF1KCNQ2ENPP2KDM4E
SCHEMBL3676475 0.79 ENPP2 (0.40) ENPP2KDM4ETDP1MMP3NOS3
SCHEMBL31068661 0.78 CCR1 (0.59) UHRF1ENPP2KDM4ENOS3NOS1
SCHEMBL29047087 0.77 ENPP2 (0.36) ENPP2KDM4ETDP1MMP3NOS3
SCHEMBL4355540 0.76 UHRF1 (0.54) GRM5UHRF1KCNQ2FFAR1NOS3
SCHEMBL9280722 0.76 RECQL (0.57) GRM5ENPP2KDM4ETDP1MMP3
SCHEMBL29894545 0.76 LOXL2 (0.57) KCNQ2ENPP2KDM4ETDP1MMP3
SCHEMBL30834457 0.76 ENPP2 (0.38) ENPP2KDM4ETDP1MMP3TGFBR1
SCHEMBL1670797 0.76 ENPP2 (0.38) ENPP2KDM4ETDP1MMP3TGFBR1
SCHEMBL13183449 0.76 ENPP2 (0.38) ENPP2KDM4ETDP1MMP3NOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240174651-A1 COMPOUNDS AND USE THEREOF FOR TREATMENT OF NEURODEGENERATIVE, DEGENERATIVE AND METABOLIC DISORDERS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2024-05-30 — — US disclosed
CN-117355303-A Compounds and their use for the treatment of neurodegenerative, degenerative and metabolic disorders 佛罗里达大学研究基金会公司 2024-01-05 — — CN disclosed
EP-4284372-A1 COMPOUNDS AND USE THEREOF FOR TREATMENT OF NEURODEGENERATIVE, DEGENERATIVE AND METABOLIC DISORDERS University of Florida Research Foundation, Incorporated (US) 2023-12-06 — — EP disclosed
US-20230322803-A1 SUBSTITUTED OXOISOINDOLINE COMPOUNDS FOR THE TREATMENT OF CANCER BRISTOL MYERS SQUIBB CO (US) 2023-10-12 — — US disclosed
US-20230322803-A1 SUBSTITUTED OXOISOINDOLINE COMPOUNDS FOR THE TREATMENT OF CANCER BRISTOL MYERS SQUIBB CO (US) 2023-10-12 — — US disclosed
US-20230225201-A1 Organic Light Emitting Diode and Device Comprising the Same NOVALED GMBH (DE) 2023-07-13 — — US disclosed
WO-2022222911-A1 PYRIMIDONE COMPOUND AND USE THEREOF 武汉人福创新药物研发中心有限公司 2022-10-27 — — WO disclosed
CN-115215862-A Pyrimidone compounds and uses thereof 武汉人福创新药物研发中心有限公司 2022-10-21 — — CN disclosed
WO-2022165173-A1 COMPOUNDS AND USE THEREOF FOR TREATMENT OF NEURODEGENERATIVE, DEGENERATIVE AND METABOLIC DISORDERS THE SCRIPPS RESEARCH INSTITUTE (US) 2022-08-04 — — WO disclosed
US-20200140400-A1 OXADIAZOLE COMPOUNDS REMYND NV (BE) 2020-05-07 — — US disclosed
US-20090306145-A1 Pyridylisoxazole Derivatives ASKA PHARMACEUTICAL CO., LTD. (JP) 2009-12-10 — — US disclosed
CN-100522964-C Pyrazolo and imidazo-pyrimidine derivatives HOFFMANN LA ROCHE (CH) 2009-08-05 — — CN disclosed
US-7514443-B2 Substituted pyrazolo[1,5-a]pyrimidines as inhibitors of metabotropic glutamate receptors HOFFMANN-LA ROCHE INC. (US) 2009-04-07 — — US disclosed
EP-2036905-A1 PYRIDYLISOXAZOLE DERIVATIVE ASKA Pharmaceutical Co., Ltd. (JP) 2009-03-18 — — EP disclosed
CN-101239981-A Pyrazolo and imidazo-pyrimidine derivatives HOFFMANN LA ROCHE (CH) 2008-08-13 — — CN disclosed
US-20080051421-A1 Pyrazolo-pyridine WICHMANN JUERGEN 2008-02-28 — — US disclosed
US-7329662-B2 Pyrazolo-pyridine HOFFMANN-LA ROCHE INC. (US) 2008-02-12 — — US disclosed
EP-1670801-A1 PYRAZOLO AND IMIDAZO-PYRIMIDINE DERIVATIVES F. Hoffmann-Roche AG (CH) 2006-06-21 — — EP disclosed
US-20050130992-A1 Pyrazolo-pyridine F. HOFFMANN-LA ROCHE AG (CH) 2005-06-16 — — US disclosed
WO-2005040171-A1 PYRAZOLO AND IMIDAZO-PYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-05-06 — — 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 (6 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-20230322803-A1 SUBSTITUTED OXOISOINDOLINE COMPOUNDS FOR THE TREATMENT OF CANCER DDX21, HRAS, RPL17 GRM5 3825/4885UHRF1 289/4885KCNQ2 3886/4885
US-20050130992-A1 Pyrazolo-pyridine CHRM2, CHRM1, QDPR GRM5 337/4885UHRF1 3849/4885KCNQ2 118/4885
US-20200140400-A1 OXADIAZOLE COMPOUNDS OXA1L, PSEN1, MAPT GRM5 1270/4885UHRF1 2825/4885KCNQ2 4530/4885
US-20240174651-A1 COMPOUNDS AND USE THEREOF FOR TREATMENT OF NEURODEGENERATIVE, DEGENERATIVE AND METABOLIC DISORDERS NLN, OAT, PC GRM5 1028/4885UHRF1 3407/4885KCNQ2 3753/4885
US-20090306145-A1 Pyridylisoxazole Derivatives CNKSR1, MAPK1, MAPK3 GRM5 1387/4885UHRF1 980/4885KCNQ2 3304/4885
US-20080051421-A1 Pyrazolo-pyridine CHRM2, CHRM1, QDPR GRM5 337/4885UHRF1 3849/4885KCNQ2 118/4885

“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.