SCHEMBL618477

SCHEMBL618477

COc1cc2ccccc2cc1N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.56
TLR8 Q9NR97 1/20 0.55
ALDH1A1 P00352 8/20 0.54
TDP1 Q9NUW8 2/20 0.54
ADRA2B P18089 1/20 0.54
PTGS1 P23219 1/20 0.54
CYP3A4 P08684 3/20 0.52
MAPT P10636 2/20 0.52
MEN1 O00255 1/20 0.52
THRB P10828 1/20 0.52
KMT2A Q03164 1/20 0.52
HPGD P15428 2/20 0.50
KDM4E B2RXH2 1/20 0.50
TSHR P16473 1/20 0.50
HSD17B10 Q99714 1/20 0.50
POLB P06746 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CDK5 Q00535 1/20 0.48
CDK5R1 Q15078 1/20 0.48
GAA P10253 2/20 0.48

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
Hydrochloric Acid SCHEMBL28397185 0.98 ALDH1A1 (0.55) NQO1TLR8ALDH1A1TDP1ADRA2B
SCHEMBL5749228 0.96 NQO1 (0.52) NQO1TLR8ALDH1A1TDP1ADRA2B
SCHEMBL29101871 0.87 ALDH1A1 (0.59) NQO1TLR8ALDH1A1TDP1ADRA2B
SCHEMBL441442 0.83 NQO1 (0.68) NQO1TLR8ALDH1A1MAPTKMT2A
SCHEMBL30459979 0.83 NQO1 (0.68) NQO1TLR8ALDH1A1MAPTKMT2A
SCHEMBL14503725 0.81 ALDH1A1 (0.62) ALDH1A1TDP1CYP3A4MAPTMEN1
SCHEMBL6891370 0.78 NQO1 (0.62) NQO1TLR8ALDH1A1MAPTKMT2A
SCHEMBL6759689 0.78 NQO1 (0.62) NQO1TLR8ALDH1A1MAPTKMT2A
SCHEMBL359387 0.78 POLB (0.52) ALDH1A1TDP1CYP3A4MAPTMEN1
SCHEMBL926329 0.77 L3MBTL1 (0.67) ALDH1A1TDP1ADRA2BPTGS1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116987488-B High-thermal oxidation stability heat conduction oil 山东北方淄特特种油股份有限公司 2023-12-08 CN claimed
CN-116987488-A High-thermal oxidation stability heat conduction oil 山东北方淄特特种油股份有限公司 2023-11-03 CN claimed
CN-116987488-B High-thermal oxidation stability heat conduction oil 山东北方淄特特种油股份有限公司 2023-12-08 CN disclosed
CN-116987488-B High-thermal oxidation stability heat conduction oil 山东北方淄特特种油股份有限公司 2023-12-08 CN disclosed
US-20230365563-A1 QUINAZOLINE COMPOUND AND APPLICATION THEREOF SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2023-11-16 US disclosed
US-20230365563-A1 QUINAZOLINE COMPOUND AND APPLICATION THEREOF SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2023-11-16 US disclosed
CN-116987488-A High-thermal oxidation stability heat conduction oil 山东北方淄特特种油股份有限公司 2023-11-03 CN disclosed
CN-116987488-A High-thermal oxidation stability heat conduction oil 山东北方淄特特种油股份有限公司 2023-11-03 CN disclosed
EP-4223761-A1 QUINAZOLINE COMPOUND AND APPLICATION THEREOF Shanghai Pharmaceuticals Holding Co., Ltd. (CN) 2023-08-09 EP disclosed
US-20180298026-A1 Pyrazolo[1,5a]Pyrimidine Derivatives as IRAK4 Modulators HOFFMANN-LA ROCHE INC. 2018-10-18 US disclosed
US-10023589-B2 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators HOFFMANN-LA ROCHE INC. (US) 2018-07-17 US disclosed
US-20010011135-A1 Omega-carboxyaryl subsituted diphenyl ureas as raf kinase inhibitors BAYER HEALTHCARE LLC 2001-08-02 US disclosed
CN-1283180-A Inhibition of raf kinase using symmerical and unsymmerical substituted diphenyl ureas BAYER AG (US) 2001-02-07 CN disclosed
WO-2001007409-A1 CARBAZOLE DERIVATIVES AND THEIR USE AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS ASTRAZENECA UK LIMITED (GB) 2001-02-01 WO disclosed
EP-1049664-A1 INHIBITION OF RAF KINASE USING SYMMETRICAL AND UNSYMMETRICAL SUBSTITUTED DIPHENYL UREAS Bayer Corporation (US) 2000-11-08 EP disclosed
EP-1042305-A1 INHIBITION OF p38 KINASE USING SYMMETRICAL AND UNSYMMETRICAL DIPHENYL UREAS Bayer Corporation (US) 2000-10-11 EP disclosed
WO-2000041698-A1 φ-CARBOXY ARYL SUBSTITUTED DIPHENYL UREAS AS p38 KINASE INHIBITORS BAYER CORPORATION (US) 2000-07-20 WO disclosed
WO-2000042012-A1 φ-CARBOXYARYL SUBSTITUTED DIPHENYL UREAS AS RAF KINASE INHIBITORS BAYER CORPORATION (US) 2000-07-20 WO disclosed
WO-1999032436-A1 INHIBITION OF RAF KINASE USING SYMMETRICAL AND UNSYMMETRICAL SUBSTITUTED DIPHENYL UREAS BAYER CORPORATION (US) 1999-07-01 WO disclosed
WO-1999032463-A1 INHIBITION OF p38 KINASE USING SYMMETRICAL AND UNSYMMETRICAL DIPHENYL UREAS BAYER CORPORATION (US) 1999-07-01 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 (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-20010011135-A1 Omega-carboxyaryl subsituted diphenyl ureas as raf kinase inhibitors BRAF, RAF1, ARAF NQO1 1719/4885TLR8 3626/4885ALDH1A1 1431/4885
US-10023589-B2 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators IRAK4, IRAK1, IRAK2 NQO1 2535/4885TLR8 45/4885ALDH1A1 2519/4885
US-20230365563-A1 QUINAZOLINE COMPOUND AND APPLICATION THEREOF KRAS, NRAS, BRAF NQO1 546/4885TLR8 4001/4885ALDH1A1 3174/4885
US-20180298026-A1 Pyrazolo[1,5a]Pyrimidine Derivatives as IRAK4 Modulators IRAK4, IRAK1, IRAK2 NQO1 2535/4885TLR8 45/4885ALDH1A1 2519/4885

“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.