SCHEMBL5654064

SCHEMBL5654064

CN1CCN(c2ccc(N)cc2C#N)CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.63
GAA P10253 5/20 0.63
HSD17B10 Q99714 2/20 0.63
KDM4E B2RXH2 8/20 0.61
RAD52 P43351 1/20 0.61
LMNA P02545 2/20 0.54
ALDH1A1 P00352 6/20 0.49
POLB P06746 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ADRA2C P18825 3/20 0.49
PTK2B Q14289 3/20 0.49
KMT2A Q03164 2/20 0.49
GFER P55789 1/20 0.49
ESR2 Q92731 1/20 0.49
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
RECQL P46063 1/20 0.46
XDH P47989 1/20 0.45
USP2 O75604 1/20 0.45
ROCK2 O75116 1/20 0.45

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
SCHEMBL29703766 1.00 MAPT (0.63) MAPTGAAHSD17B10KDM4ERAD52
SCHEMBL6052489 0.86 MAPT (0.50) MAPTGAAHSD17B10KDM4ERAD52
SCHEMBL3156791 0.84 MAPT (0.60) MAPTGAAHSD17B10KDM4ELMNA
SCHEMBL6052447 0.83 ALDH1A1 (0.61) MAPTGAAHSD17B10KDM4ELMNA
SCHEMBL5793163 0.83 ALDH1A1 (0.61) MAPTGAAHSD17B10KDM4ELMNA
SCHEMBL15320132 0.83 MAPT (0.59) MAPTGAAHSD17B10KDM4ERAD52
SCHEMBL13419452 0.81 KDM4E (0.57) MAPTGAAHSD17B10KDM4ERAD52
SCHEMBL22072965 0.81 KDM4E (0.47) MAPTGAAHSD17B10KDM4ERAD52
SCHEMBL29990632 0.81 ALDH1A1 (0.65) MAPTGAAHSD17B10KDM4ERAD52
SCHEMBL31316966 0.80 MAPT (0.56) MAPTGAAHSD17B10KDM4ERAD52

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4427812-A2 SUBSTITUTED BICYCLIC AND TETRACYCLIC QUINONES AND RELATED METHODS OF USE The Regents of the University of Michigan (US) 2024-09-11 EP disclosed
EP-3934634-B1 SUBSTITUTED BICYCLIC AND TETRACYCLIC QUINONES AND RELATED METHODS OF USE UNIV MICHIGAN REGENTS (US) 2024-07-24 EP disclosed
US-11697648-B2 Fused pyrimidine pyridinone compounds as JAK inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-07-11 US disclosed
US-11697648-B2 Fused pyrimidine pyridinone compounds as JAK inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-07-11 US disclosed
CN-114901659-A Fused pyrimidinone compounds as JAK inhibitors 施万生物制药研发IP有限责任公司 2022-08-12 CN disclosed
US-20220162167-A1 SUBSTITUTED BICYCLIC AND TETRACYCLIC QUINONES AND USE THEREOF AS ANTI-CANCER AGENTS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2022-05-26 US disclosed
EP-3934634-A1 SUBSTITUTED BICYCLIC AND TETRACYCLIC QUINONES AND RELATED METHODS OF USE The Regents Of The University Of Michigan (US) 2022-01-12 EP disclosed
CN-113710241-A Substituted bicyclic and tetracyclic quinones and related methods of use 密执安大学评议会 2021-11-26 CN disclosed
US-20210188844-A1 FUSED PYRIMIDINE PYRIDINONE COMPOUNDS AS JAK INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2021-06-24 US disclosed
US-20210188844-A1 FUSED PYRIMIDINE PYRIDINONE COMPOUNDS AS JAK INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2021-06-24 US disclosed
US-7112594-B2 Fused bicyclic amide compounds and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2006-09-26 US disclosed
EP-1689747-A1 1H-IMIDAZO [4,5-C] QUINOLINE DERIVATIVES IN THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES Novartis AG (CH) 2006-08-16 EP disclosed
US-7015218-B1 Amide compounds and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2006-03-21 US disclosed
CN-1230421-C Amide compound and pharmaceutical use thereof MITSUBISHI CHEM CORP (JP) 2005-12-07 CN disclosed
WO-2005054238-A1 1H-IMIDAZO[4,5-C]QUINOLINE DERIVATIVES IN THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES NOVARTIS AG (CH) 2005-06-16 WO disclosed
EP-1176140-B1 AMIDE COMPOUNDS AND MEDICINAL USE THEREOF MITSUBISHI PHARMA CORP (JP) 2004-12-29 EP disclosed
US-20030203909-A1 Fused bicyclic amide compounds and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2003-10-30 US disclosed
EP-1310488-A1 FUSED BICYCLIC AMIDE COMPOUNDS AND MEDICINAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2003-05-14 EP disclosed
CN-1346348-A Amide compound and pharmaceutical use thereof YOSHITOMI PHARMACEUTICAL (JP) 2002-04-24 CN disclosed
EP-1176140-A1 AMIDE COMPOUNDS AND MEDICINAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2002-01-30 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 (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-20030203909-A1 Fused bicyclic amide compounds and medicinal use thereof BET1, NFATC1, ARG1 MAPT 4876/4885GAA 3435/4885HSD17B10 1731/4885
US-20210188844-A1 FUSED PYRIMIDINE PYRIDINONE COMPOUNDS AS JAK INHIBITORS JAK3, JAK1, JAK2 MAPT 3409/4885GAA 3514/4885HSD17B10 3632/4885
US-11697648-B2 Fused pyrimidine pyridinone compounds as JAK inhibitors JAK3, JAK1, JAK2 MAPT 3409/4885GAA 3514/4885HSD17B10 3632/4885
US-20220162167-A1 SUBSTITUTED BICYCLIC AND TETRACYCLIC QUINONES AND USE THEREOF AS ANTI-CANCER AGENTS MCL1, NQO1, GLS MAPT 2167/4885GAA 2416/4885HSD17B10 1463/4885

“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.