SCHEMBL8306841

SCHEMBL8306841

CCOc1cccc(NC)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.58
TP53 P04637 1/20 0.55
CYP3A4 P08684 1/20 0.55
HTT P42858 1/20 0.53
HSD17B10 Q99714 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.49
KMT2A Q03164 2/20 0.49
SYK P43405 1/20 0.49
LMNA P02545 2/20 0.48
ALDH1A1 P00352 1/20 0.48
PKM P14618 1/20 0.48
HPGD P15428 1/20 0.48
NR1H4 Q96RI1 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
MAPK1 P28482 1/20 0.47
CYP2C19 P33261 1/20 0.47
MEN1 O00255 1/20 0.47
PLAU P00749 1/20 0.46
CASP3 P42574 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
SCHEMBL11518974 0.86 SYK (0.57) TP53CYP3A4HTTHSD17B10SMN1; SMN2
SCHEMBL5609143 0.85 APP (0.55) APPHTTSMN1; SMN2KMT2ALMNA
SCHEMBL11410721 0.85 TP53 (0.52) APPTP53CYP3A4HTTHSD17B10
SCHEMBL13169873 0.83 THRB (0.60) APPKMT2ANR1H4CYP1A2CYP2C19
SCHEMBL146848 0.82 TP53 (0.53) TP53CYP3A4HTTHSD17B10SMN1; SMN2
SCHEMBL4050094 0.82 TP53 (0.63) TP53CYP3A4HTTHSD17B10SMN1; SMN2
SCHEMBL27926957 0.82 TP53 (0.53) TP53CYP3A4HTTHSD17B10SMN1; SMN2
SCHEMBL27934212 0.82 HTT (0.55) TP53CYP3A4HTTHSD17B10SMN1; SMN2
Hydrochloric Acid SCHEMBL4048844 0.81 TP53 (0.61) TP53CYP3A4HTTHSD17B10SMN1; SMN2
SCHEMBL7986906 0.81 MAPT (0.54) TP53CYP3A4HTTHSD17B10SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3524600-B1 PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF NOVEL SUBSTITUTED 6,7-DIHYDRO-5H-BENZO[7]ANNULENE COMPOUNDS SANOFI SA (FR) 2021-11-17 EP disclosed
US-20170320870-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2017-11-09 US disclosed
US-20170320870-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2017-11-09 US disclosed
US-20170260174-A1 Benzene, Pyridine, and Pyridazine Derivatives ESANEX INC (US) 2017-09-14 US disclosed
EP-2380879-B1 Tetrahydroindolone and tetrahydroindazolone derivatives ESANEX INC (US) 2017-07-12 EP disclosed
US-9656956-B2 Benzene, pyridine, and pyridazine derivatives ESANEX, INC. (US) 2017-05-23 US disclosed
US-20170107230-A1 P38 AND JNK MAPK INHIBITORS FOR THE TREATMENT AND PROPHYLAXIS OF DEGENERATIVE DISEASES OF THE NERVOUS SYSTEM ALLINKY BIOPHARMA (ES) 2017-04-20 US disclosed
US-20140343037-A1 BENZENE, PYRIDINE, AND PYRIDAZINE DERIVATIVES SERENEX, INC. 2014-11-20 US disclosed
CN-101939326-B Method for producing cycloplatinized platinum complexes, platinum complexes produced by said method, and the use thereof RWTH AACHEN UNIVERSITY 2013-06-05 CN disclosed
US-20130137686-A1 BENZENE, PYRIDINE, AND PYRIDAZINE DERIVATIVES SERENEX, INC. 2013-05-30 US disclosed
EP-1633748-B1 QUINOLINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LTD (GB) 2008-03-05 EP disclosed
US-20070142373-A1 Quinoline derivatives as phosphodiesterase inhibitors GLAXO GROUP LIMITED (GB) 2007-06-21 US disclosed
US-20070142373-A1 Quinoline derivatives as phosphodiesterase inhibitors GLAXO GROUP LIMITED (GB) 2007-06-21 US disclosed
US-20070049570-A1 Quinoline derivatives as phosphodiesterase inhibitors DEAN ANTHONY W 2007-03-01 US disclosed
US-20070049570-A1 Quinoline derivatives as phosphodiesterase inhibitors DEAN ANTHONY W 2007-03-01 US disclosed
WO-2004103998-A1 QUINOLINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-12-02 WO disclosed
WO-2004058234-A2 PHARMACEUTICAL COMBINATIONS OF PHTHALAZINE VEGF INHIBITORS AND BENZAMIDE HDAC INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 2004-07-15 WO disclosed
US-4172944-A Water insoluble styryl dyestuffs having hetero-aryl methylene substituent BAYER AKTIENGESELLSCHAFT (DE) 1979-10-30 US disclosed
US-4046771-A GREENISH-YELLOW SHADES ON SYNTHETIC FIBERS BAYER AKTIENGESELLSCHAFT (DT) 1977-09-06 US disclosed
US-4016191-A WATER INSOLUBLE; LIGHTFASTNESS BAYER AKTIENGESELLSCHAFT (DT) 1977-04-05 US 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 (7 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-20170107230-A1 P38 AND JNK MAPK INHIBITORS FOR THE TREATMENT AND PROPHYLAXIS OF DEGENERATIVE DISEASES OF THE NERVOUS SYSTEM MAPK1, MAPK14, MAPK11 APP 392/4885TP53 2797/4885CYP3A4 3349/4885
US-20130137686-A1 BENZENE, PYRIDINE, AND PYRIDAZINE DERIVATIVES CDK4, P2RX4, MKI67 APP 2582/4885TP53 96/4885CYP3A4 45/4885
US-20170320870-A1 COMPOUNDS CBR3, CNR1, HCAR3 APP 3905/4885TP53 3390/4885CYP3A4 128/4885
US-20170260174-A1 Benzene, Pyridine, and Pyridazine Derivatives CDK4, P2RX4, MKI67 APP 2582/4885TP53 96/4885CYP3A4 45/4885
US-20140343037-A1 BENZENE, PYRIDINE, AND PYRIDAZINE DERIVATIVES CDK4, P2RX4, MKI67 APP 2582/4885TP53 96/4885CYP3A4 45/4885
US-20070049570-A1 Quinoline derivatives as phosphodiesterase inhibitors PDE3B, PDE4B, PDE4A APP 3282/4885TP53 4055/4885CYP3A4 49/4885
US-20070142373-A1 Quinoline derivatives as phosphodiesterase inhibitors PDE3B, PDE4B, PDE4A APP 3282/4885TP53 4055/4885CYP3A4 49/4885

“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.