SCHEMBL16090774

SCHEMBL16090774

CCn1c(C#N)cc2cc(CBr)ccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRPF1 P55201 1/20 0.34
SMARCA2 P51531 1/20 0.34
CYP2A6 P11509 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
AR P10275 1/20 0.33
PGR P06401 1/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
TSHR P16473 2/20 0.32
HSD17B10 Q99714 1/20 0.32
GRIK1 P39086 1/20 0.31
GRIK2 Q13002 1/20 0.31
PPARG P37231 1/20 0.30
LMNA P02545 2/20 0.30
PTGER4 P35408 1/20 0.30
MAPT P10636 1/20 0.30
THRB P10828 1/20 0.30
ALOX12 P18054 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL16090776 0.88 KDM4E (0.33) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL16090780 0.80 CNR2 (0.33) PGR
SCHEMBL16090778 0.80 KMT2A (0.41) BRPF1SMARCA2CYP2A6ARPGR
SCHEMBL16090792 0.75 MEN1 (0.35)
SCHEMBL18256193 0.74 CCR2 (0.32)
SCHEMBL9124674 0.72 ALOX5 (0.42) BRPF1KDM4EALDH1A1HPGDTSHR
SCHEMBL16090766 0.71 PARG (0.36) CYP2A6PGRKDM4EALDH1A1TSHR
SCHEMBL31702496 0.71 HRH3 (0.37) HRH3KDM4E
SCHEMBL24392772 0.70 KDM4E (0.40) BRPF1CYP2A6ARKDM4EALDH1A1
SCHEMBL16030138 0.70 NR1H2 (0.47)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170253611-A1 COMPOSITIONS COMPRISING THIENOPYRIMIDINE AND THIENOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF THE LEUKEMIA & LYMPHOMA SOCIETY, INC. 2017-09-07 US disclosed
US-20170253611-A1 COMPOSITIONS COMPRISING THIENOPYRIMIDINE AND THIENOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF THE LEUKEMIA & LYMPHOMA SOCIETY, INC. 2017-09-07 US disclosed
US-9505782-B2 Compositions comprising thienopyrimidine and thienopyridine compounds and methods of use thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2016-11-29 US disclosed
US-9505782-B2 Compositions comprising thienopyrimidine and thienopyridine compounds and methods of use thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2016-11-29 US disclosed
US-9505781-B2 Compositions comprising thienopyrimidine and thienopyridine compounds and methods of use thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2016-11-29 US disclosed
US-9505781-B2 Compositions comprising thienopyrimidine and thienopyridine compounds and methods of use thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2016-11-29 US disclosed
US-20160137665-A1 COMPOSITIONS COMPRISING THIENOPYRIMIDINE AND THIENOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF THE LEUKEMIA & LYMPHOMA SOCIETY, INC. 2016-05-19 US disclosed
US-20160137665-A1 COMPOSITIONS COMPRISING THIENOPYRIMIDINE AND THIENOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF THE LEUKEMIA & LYMPHOMA SOCIETY, INC. 2016-05-19 US disclosed
US-20160046647-A1 COMPOSITIONS COMPRISING THIENOPYRIMIDINE AND THIENOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF THE LEUKEMIA & LYMPHOMA SOCIETY, INC. 2016-02-18 US disclosed
US-20160046647-A1 COMPOSITIONS COMPRISING THIENOPYRIMIDINE AND THIENOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF THE LEUKEMIA & LYMPHOMA SOCIETY, INC. 2016-02-18 US disclosed
US-9216993-B2 Compositions comprising thienopyrimidine and thienopyridine compounds and methods of use thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2015-12-22 US disclosed
US-9216993-B2 Compositions comprising thienopyrimidine and thienopyridine compounds and methods of use thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2015-12-22 US disclosed
WO-2014164543-A1 COMPOSITIONS COMPRISING THIENOPYRIMIDINE AND THIENOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-10-09 WO disclosed
US-20140275070-A1 COMPOSITIONS COMPRISING THIENOPYRIMIDINE AND THIENOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-09-18 US disclosed
US-20140275070-A1 COMPOSITIONS COMPRISING THIENOPYRIMIDINE AND THIENOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-09-18 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 (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-20140275070-A1 COMPOSITIONS COMPRISING THIENOPYRIMIDINE AND THIENOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF MLLT1, MLLT3, BMI1 BRPF1 1008/4885SMARCA2 148/4885CYP2A6 3258/4885
US-20160046647-A1 COMPOSITIONS COMPRISING THIENOPYRIMIDINE AND THIENOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF MLLT1, MLLT3, BMI1 BRPF1 942/4885SMARCA2 154/4885CYP2A6 3214/4885
US-20170253611-A1 COMPOSITIONS COMPRISING THIENOPYRIMIDINE AND THIENOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF MLLT1, MLLT3, BMI1 BRPF1 1105/4885SMARCA2 251/4885CYP2A6 2327/4885
US-20160137665-A1 COMPOSITIONS COMPRISING THIENOPYRIMIDINE AND THIENOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF MLLT1, MLLT3, BMI1 BRPF1 1057/4885SMARCA2 203/4885CYP2A6 2286/4885

“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.