SCHEMBL262820

SCHEMBL262820

Cc1ccc(C(=O)c2ccncc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.73
LMNA P02545 2/20 0.73
LTA4H P09960 1/20 0.63
KMT2A Q03164 3/20 0.61
SRD5A2 P31213 2/20 0.61
MEN1 O00255 1/20 0.61
NPSR1 Q6W5P4 1/20 0.56
L3MBTL1 Q9Y468 2/20 0.55
RAB9A P51151 3/20 0.55
HTT P42858 1/20 0.55
CES2 O00748 1/20 0.52
CES1 P23141 1/20 0.52
NPC1 O15118 2/20 0.52
PTGS2 P35354 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
NAPRT Q6XQN6 1/20 0.50
GAA P10253 1/20 0.49

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
SCHEMBL5183851 0.86 CES2 (0.73) ALDH1A1LMNALTA4HKMT2ANPSR1
SCHEMBL725064 0.85 KMT2A (0.80) ALDH1A1LMNALTA4HKMT2ASRD5A2
SCHEMBL822185 0.85 ALDH1A1 (1.00) ALDH1A1LMNAKMT2ASRD5A2MEN1
SCHEMBL52200 0.85 ALDH1A1 (1.00) ALDH1A1LMNAKMT2ASRD5A2MEN1
Hydrochloric Acid SCHEMBL28795867 0.83 KMT2A (0.76) ALDH1A1LMNALTA4HKMT2ASRD5A2
Hydrochloric Acid SCHEMBL27909743 0.83 ALDH1A1 (0.94) ALDH1A1LMNAKMT2ASRD5A2MEN1
SCHEMBL11528213 0.83 ALDH1A1 (0.94) ALDH1A1LMNAKMT2ASRD5A2MEN1
SCHEMBL13381492 0.81 ALDH1A1 (0.76) ALDH1A1L3MBTL1RAB9ANPC1PTGS2
SCHEMBL23332036 0.79 PTGS2 (0.44) ALDH1A1LMNAKMT2ANPSR1L3MBTL1
SCHEMBL3522195 0.79 LMNA (0.71) ALDH1A1LMNALTA4HKMT2ASRD5A2

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020237991-A1 THERMALLY ACTIVATED DELAYED FLUORESCENT MOLECULAR MATERIAL, SYNTHESIS METHOD THEREFOR, AND ELECTROLUMINESCENT DEVICE 武汉华星光电半导体显示技术有限公司 2020-12-03 WO disclosed
CN-105189485-B It is used as the novel propylene amide derivatives of anti-malarial agents 埃科特莱茵药品有限公司 2017-10-24 CN disclosed
EP-2970217-B1 NOVEL ACRYLAMIDE DERIVATIVES AS ANTIMALARIAL AGENTS IDORSIA PHARMACEUTICALS LTD (CH) 2017-08-09 EP disclosed
US-9637473-B2 Acrylamide derivatives as antimalarial agents ACTELION PHARMACEUTICALS LTD. (CH) 2017-05-02 US disclosed
US-20160024050-A1 NOVEL ACRYLAMIDE DERIVATIVES AS ANTIMALARIAL AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2016-01-28 US disclosed
EP-2970217-A1 NOVEL ACRYLAMIDE DERIVATIVES AS ANTIMALARIAL AGENTS Actelion Pharmaceuticals Ltd. (CH) 2016-01-20 EP disclosed
CN-105189485-A Novel acrylamide derivatives as antimalarial agents ACTELION PHARMACEUTICALS LTD 2015-12-23 CN disclosed
WO-2014141175-A1 NOVEL ACRYLAMIDE DERIVATIVES AS ANTIMALARIAL AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2014-09-18 WO disclosed
EP-2386545-A1 Heteroaryl ureas containing nitrogen hetero-atoms as P38 kinase inhibitors Bayer Healthcare LLC (US) 2011-11-16 EP disclosed
US-20080194580-A1 Inhibition Of Raf Kinase Using Quinolyl, Isoquinolyl Or Pyridyl Ureas BAYER HEALTHCARE LLC 2008-08-14 US disclosed
US-20080194580-A1 Inhibition Of Raf Kinase Using Quinolyl, Isoquinolyl Or Pyridyl Ureas BAYER HEALTHCARE LLC 2008-08-14 US disclosed
US-7371763-B2 Inhibition of raf kinase using quinolyl, isoquinolyl or pyridyl ureas BAYER PHARMACEUTICALS CORPORATION (US) 2008-05-13 US disclosed
US-7371763-B2 Inhibition of raf kinase using quinolyl, isoquinolyl or pyridyl ureas BAYER PHARMACEUTICALS CORPORATION (US) 2008-05-13 US disclosed
EP-1379505-B1 INHIBITION OF RAF KINASE USING QUINOLYL, ISOQUINOLYL OR PYRIDYL UREAS BAYER PHARMACEUTICALS CORP (US) 2007-02-28 EP disclosed
US-4690931-A IN TREATMENT OF ANOXIA OR BRAIN DAMAGE SYNTHELABO (FR) 1987-09-01 US disclosed
EP-0046446-A1 Polyazaheterocyclic compounds, process for their preparation and pharmaceutical compositions containing them CIBA-GEIGY AG (CH) 1982-02-24 EP disclosed
US-4128651-A Bis-quaternary pyridinium-2-aldoxime salts and a process for their preparation MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1978-12-05 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 (2 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-20080194580-A1 Inhibition Of Raf Kinase Using Quinolyl, Isoquinolyl Or Pyridyl Ureas BRAF, RAF1, ARAF ALDH1A1 2722/4885LMNA 2542/4885LTA4H 3690/4885
US-20160024050-A1 NOVEL ACRYLAMIDE DERIVATIVES AS ANTIMALARIAL AGENTS RECQL, ACR, ABCC3 ALDH1A1 375/4885LMNA 2671/4885LTA4H 793/4885

“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.