SCHEMBL827241

SCHEMBL827241

CN(C)c1cncc(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
CHRNB2 P17787 2/20 0.43
CHRNA4 P43681 2/20 0.43
HCAR2 Q8TDS4 1/20 0.39
CHRM5 P08912 1/20 0.37
CHKA P35790 1/20 0.37
AURKA O14965 1/20 0.37
KIF11 P52732 1/20 0.37
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOX3 Q9HBY0 1/20 0.34
NOX4 Q9NPH5 1/20 0.34
NOX1 Q9Y5S8 1/20 0.34
EGFR P00533 2/20 0.33
CHUK O15111 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
ALOX15 P16050 1/20 0.33

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
SCHEMBL23961590 0.79 CHRNB2 (0.42) ALDH1A1KDM4EMEN1KMT2ACHRNB2
SCHEMBL7672406 0.73 ALDH1A1 (0.50) ALDH1A1KDM4EMEN1KMT2AHCAR2
SCHEMBL23720009 0.73 ALDH1A1 (0.41) ALDH1A1CHRNB2CHRNA4CHKAALOX15
SCHEMBL197638 0.73
SCHEMBL5260389 0.71 ALDH1A1 (0.48) ALDH1A1KDM4EMEN1KMT2AHCAR2
SCHEMBL18221641 0.71 ALDH1A1 (0.48) ALDH1A1KDM4EMEN1KMT2ACHRM5
SCHEMBL7672402 0.71 ALDH1A1 (0.48) ALDH1A1KDM4EMEN1KMT2ACHRM5
SCHEMBL5700291 0.71 ALDH1A1 (0.48) ALDH1A1KDM4EMEN1KMT2ACHRNB2
SCHEMBL18482672 0.71 ALDH1A1 (0.48) ALDH1A1KDM4EMEN1KMT2ACHRM5
SCHEMBL17039295 0.71 ALDH1A1 (0.48) ALDH1A1KDM4EMEN1KMT2ACHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8507680-B2 Production process of a heteroaryl-type boron compounds with iridium catalyst MITSUBISHI RAYON CO., LTD. (JP) 2013-08-13 US disclosed
US-20120142924-A1 PRODUCTION PROCESS OF A HETEROARYL-TYPE BORON COMPOUNDS WITH IRIDIUM CATALYST MITSUBISHI RAYON CO., LTD. (JP) 2012-06-07 US disclosed
US-8143407-B2 Process for production of heteroaryl-type boron compounds with iridium catalyst MITSUBISHI RAYON CO., LTD. (JP) 2012-03-27 US disclosed
US-20100010224-A1 PROCESS FOR PRODUCTION OF HETEROARYL-TYPE BORON COMPOUNDS WITH IRIDIUM CATALYST MITSUBISHI RAYON CO., LTD. (JP) 2010-01-14 US disclosed
US-7612218-B2 Process for production of heteroaryl-type boron compounds with iridium catalyst MITSUBISHI RAYON CO., LTD. (JP) 2009-11-03 US disclosed
EP-1270582-B1 TRIPHENYLPHOSPHINE DERIVATIVES, PALLADIUM OR NICKEL COMPLEXES THEREOF, AND PROCESS FOR PREPARING BIARYL DERIVATIVES MITSUBISHI RAYON CO (JP) 2006-08-30 EP disclosed
US-20050148775-A1 Process for production of heteroaryl-type boron compounds with iridium catalyst MITSUBISHI RAYON CO., LTD. (JP) 2005-07-07 US disclosed
EP-1481978-A1 PROCESS FOR PRODUCTION OF HETEROARYL-TYPE BORON COMPOUNDS WITH IRIDIUM CATALYST Mitsubishi Rayon Co., Ltd. (JP) 2004-12-01 EP disclosed
US-6693210-B2 USING PALLADIUM, NICKEL PHOSPHINE COMPLEX AS CATALYSTS MITSUBISHI RAYON CO., LTD. (JP) 2004-02-17 US disclosed
US-20030065208-A1 Using palladium, nickel phosphine complex as catalysts MITSUBISHI RAYON CO., LTD. (JP) 2003-04-03 US disclosed
EP-1270582-A1 TRIPHENYLPHOSPHINE DERIVATIVE, PRODUCTION PROCESS THEREFOR, PALLADIUM COMPLEX THEREOF, AND PROCESS FOR PRODUCING BIARYL DERIVATIVE Mitsubishi Rayon Co., Ltd. (JP) 2003-01-02 EP disclosed
EP-0901490-A1 BICYCLIC AMINES AS INSECTICIDES ZENECA LIMITED (GB) 1999-03-17 EP disclosed
WO-1997043286-A1 BICYCLIC AMINES AS INSECTICIDES ZENECA LIMITED (GB) 1997-11-20 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-20100010224-A1 PROCESS FOR PRODUCTION OF HETEROARYL-TYPE BORON COMPOUNDS WITH IRIDIUM CATALYST PIN4, IPO5, HLCS ALDH1A1 3867/4885KDM4E 2745/4885MEN1 4048/4885
US-20120142924-A1 PRODUCTION PROCESS OF A HETEROARYL-TYPE BORON COMPOUNDS WITH IRIDIUM CATALYST PIN4, NISCH, HLCS ALDH1A1 3952/4885KDM4E 3652/4885MEN1 3935/4885
US-20050148775-A1 Process for production of heteroaryl-type boron compounds with iridium catalyst PIN4, IPO5, HLCS ALDH1A1 3867/4885KDM4E 2745/4885MEN1 4048/4885
US-20030065208-A1 Using palladium, nickel phosphine complex as catalysts PDCD1LG2, PIK3CA, PDCD1 ALDH1A1 3993/4885KDM4E 2983/4885MEN1 149/4885

“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.