SCHEMBL9857993

SCHEMBL9857993

NC(=O)c1cn(Cc2ccccc2)nn1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.63
LMNA P02545 1/20 0.63
SCD O00767 1/20 0.62
CA5A P35218 1/20 0.62
CYP19A1 P11511 2/20 0.57
SIRT2 Q8IXJ6 3/20 0.54
MEN1 O00255 1/20 0.52
CASP3 P42574 1/20 0.52
KMT2A Q03164 1/20 0.52
SENP8 Q96LD8 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
SENP6 Q9GZR1 1/20 0.52
TGM2 P21980 2/20 0.51
HDAC1 Q13547 2/20 0.50
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50

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
SCHEMBL553716 0.87 ALDH1A1 (0.67) ALDH1A1LMNACYP19A1MEN1CASP3
SCHEMBL27854173 0.86 SCD (0.61) ALDH1A1LMNASCDCA5ASIRT2
SCHEMBL10666003 0.86 SCD (0.58) ALDH1A1LMNASCDCA5ASIRT2
SCHEMBL4735984 0.85 ALDH1A1 (0.65) ALDH1A1LMNACYP19A1MEN1CASP3
SCHEMBL17986752 0.84 ALDH1A1 (0.60) ALDH1A1LMNASCDCYP19A1SIRT2
SCHEMBL20344482 0.84 CA5A (0.63) ALDH1A1LMNASCDCA5AMEN1
SCHEMBL15964859 0.84 SCD (0.59) ALDH1A1LMNASCDCA5AMEN1
SCHEMBL14706717 0.84 ALDH1A1 (0.68) ALDH1A1LMNASCDCYP19A1MEN1
SCHEMBL15964868 0.83 CA5A (0.65) ALDH1A1LMNASCDCA5ASIRT2
SCHEMBL16554654 0.82 SCD (0.57) ALDH1A1LMNASCDCA5AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3816163-A1 CELL NECROSIS INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences (CN) 2021-05-05 EP disclosed
EP-3342771-B1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2020-11-25 EP disclosed
EP-3508484-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2019-07-10 EP disclosed
EP-3342771-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GlaxoSmithKline Intellectual Property Development Ltd (GB) 2018-07-04 EP disclosed
EP-2952096-B1 Amide compound, an arthropod pest control agent and a method for controlling arthropod pest SUMITOMO CHEMICAL CO (JP) 2018-04-04 EP disclosed
EP-2956452-B1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2018-03-21 EP disclosed
US-9814235-B2 Method for controlling arthropod pest SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-11-14 US disclosed
EP-2462141-B1 NOVEL AZAHETEROCYCLIC COMPOUNDS MERCK PATENT GMBH (DE) 2017-09-27 EP disclosed
CN-104955332-B The method of preventing and treating arthropod insect 住友化学株式会社 2017-03-29 CN disclosed
US-20150344466-A1 METHOD FOR CONTROLLING ARTHROPOD PEST SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-12-03 US disclosed
US-9023847-B2 Azaheterocyclic compounds MERCK PATENT GMBH (DE) 2015-05-05 US disclosed
WO-2014125444-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2014-08-21 WO disclosed
US-20120277228-A1 Novel Azaheterocyclic Compounds MERCK PATENT GMBH (DE) 2012-11-01 US disclosed
EP-0199262-B1 FLUORINATED BENZYL TRIAZOLE COMPOUNDS CIBA-GEIGY AG (CH) 1991-02-27 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 (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-20120277228-A1 Novel Azaheterocyclic Compounds PCNA, MCL1, MYC ALDH1A1 1038/4885LMNA 2699/4885SCD 3494/4885
US-20150344466-A1 METHOD FOR CONTROLLING ARTHROPOD PEST H1-0, H1-3, H1-2 ALDH1A1 3053/4885LMNA 3984/4885SCD 1917/4885

“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.