SCHEMBL8736874

SCHEMBL8736874

Cc1ccc(Cc2ccccn2)cc1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.65
NPSR1 Q6W5P4 1/20 0.57
KEAP1 Q14145 1/20 0.52
NFE2L2 Q16236 1/20 0.52
ALDH1A1 P00352 2/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
SYK P43405 2/20 0.49
HRH3 Q9Y5N1 1/20 0.48
MAPT P10636 2/20 0.48
KDM4E B2RXH2 1/20 0.48
AURKB Q96GD4 1/20 0.47
INCENP Q9NQS7 1/20 0.47
LMNA P02545 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
ALOX15 P16050 1/20 0.47
CYP3A4 P08684 1/20 0.45
HRH1 P35367 1/20 0.44

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
SCHEMBL21473789 0.93 L3MBTL1 (0.57) L3MBTL1NPSR1KEAP1NFE2L2ALDH1A1
Toluene SCHEMBL28430347 0.86 L3MBTL1 (0.54) L3MBTL1NPSR1KEAP1NFE2L2ALDH1A1
SCHEMBL2760129 0.84 L3MBTL1 (0.65) L3MBTL1NPSR1ALDH1A1NPC1RAB9A
SCHEMBL18557437 0.84 L3MBTL1 (0.56) L3MBTL1NPSR1KEAP1NFE2L2ALDH1A1
SCHEMBL64435 0.83 L3MBTL1 (0.68) L3MBTL1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL29373231 0.83 L3MBTL1 (0.68) L3MBTL1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL7355640 0.82 NPSR1 (0.64) L3MBTL1NPSR1ALDH1A1SYKHRH3
Hydrochloric Acid SCHEMBL31087535 0.81 L3MBTL1 (0.71) L3MBTL1ALDH1A1NPC1RAB9AHRH3
SCHEMBL31276017 0.81 L3MBTL1 (0.66) L3MBTL1ALDH1A1NPC1RAB9AHRH3
Bromide SCHEMBL10759788 0.81 L3MBTL1 (0.66) L3MBTL1ALDH1A1NPC1RAB9ASMN1; 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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106032355-B A kind of method that pyridine side chain c h bond is direct oxidation into ketone 中国科学院大连化学物理研究所 2019-01-04 CN claimed
CN-106032355-A Method for directly oxidizing C-H bond in side chain of pyridine into ketone 中国科学院大连化学物理研究所 2016-10-19 CN claimed
EP-3511294-B1 METHOD FOR STORING AND DISCHARGING HYDROGEN USING PYRIDINE-BASED HYDROGEN STORAGE MATERIAL KOREA RES INST CHEMICAL TECH (KR) 2022-06-15 EP disclosed
CN-112661696-A Green synthesis method of multi-aryl substituted methanol 华东理工大学 2021-04-16 CN disclosed
US-10693083-B2 Condensed cyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2020-06-23 US disclosed
EP-3511294-A1 SYSTEM FOR STORING AND DISCHARGING HYDROGEN USING PYRIDINE-BASED HYDROGEN STORAGE MATERIAL Korea Research Institute of Chemical Technology (KR) 2019-07-17 EP disclosed
US-10355284-B2 Composition, method of preparing the composition, electrode including the composition, and fuel cell including the electrode SAMSUNG ELECTRONICS CO., LTD. (KR) 2019-07-16 US disclosed
US-10276799-B2 White-light hyperbranched conjugated polymer, method for preparing the same and it's use TAIYUAN UNIVERSITY OF TECHNOLOGY (CN) 2019-04-30 US disclosed
CN-106032355-B A kind of method that pyridine side chain c h bond is direct oxidation into ketone 中国科学院大连化学物理研究所 2019-01-04 CN disclosed
US-20180166635-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2018-06-14 US disclosed
CN-105669548-B A kind of method of manganese compound catalysis oxidation pyridine compounds and their synthesis ketone 中国科学院大连化学物理研究所 2018-04-03 CN disclosed
US-7517880-B2 Inhibition of p38 kinase using symmetrical and unsymmetrical diphenyl ureas BAYER PHARMACEUTICALS CORPORATION (US) 2009-04-14 US disclosed
US-7517880-B2 Inhibition of p38 kinase using symmetrical and unsymmetrical diphenyl ureas BAYER PHARMACEUTICALS CORPORATION (US) 2009-04-14 US disclosed
US-20090093526-A1 INHIBITION OF P38 KINASE USING SYMMETRICAL AND UNSYMMETRICAL DIPHENYL UREAS BAYER HEALTHCARE LLC 2009-04-09 US disclosed
US-20090093526-A1 INHIBITION OF P38 KINASE USING SYMMETRICAL AND UNSYMMETRICAL DIPHENYL UREAS BAYER HEALTHCARE LLC 2009-04-09 US disclosed
US-20080269265-A1 Inhibition Of Raf Kinase Using Symmetrical And Unsymmetrical Substituted Diphenyl Ureas MILLER SCOTT 2008-10-30 US disclosed
US-20080269265-A1 Inhibition Of Raf Kinase Using Symmetrical And Unsymmetrical Substituted Diphenyl Ureas MILLER SCOTT 2008-10-30 US disclosed
CN-101128421-A Methods and compositions for treating amyloid-related diseases NEUROCHEM INTERNAT LTD (CH) 2008-02-20 CN disclosed
US-20070244120-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BAYER HEALTHCARE LLC 2007-10-18 US disclosed
US-20070244120-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BAYER HEALTHCARE LLC 2007-10-18 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 (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-20090093526-A1 INHIBITION OF P38 KINASE USING SYMMETRICAL AND UNSYMMETRICAL DIPHENYL UREAS MAP2K2, MAPK1, MAP2K1 L3MBTL1 2701/4885NPSR1 4077/4885KEAP1 2179/4885
US-20180166635-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CRY2, CCNE2 L3MBTL1 1898/4885NPSR1 4281/4885KEAP1 302/4885
US-20070244120-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BRAF, RAF1, ARAF L3MBTL1 1879/4885NPSR1 4583/4885KEAP1 782/4885
US-10693083-B2 Condensed cyclic compound and organic light-emitting device including the same CRY1, CRY2, CCNE2 L3MBTL1 1898/4885NPSR1 4281/4885KEAP1 302/4885
US-20080269265-A1 Inhibition Of Raf Kinase Using Symmetrical And Unsymmetrical Substituted Diphenyl Ureas BRAF, RAF1, MAP2K2 L3MBTL1 2090/4885NPSR1 4614/4885KEAP1 1021/4885

“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.