SCHEMBL2728010

SCHEMBL2728010

O=C(Nc1cncc2ccccc12)C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.49
HDAC1 Q13547 2/20 0.49
HDAC7 Q8WUI4 2/20 0.49
HDAC8 Q9BY41 2/20 0.49
MAPT P10636 2/20 0.48
JAK2 O60674 1/20 0.48
TP53 P04637 1/20 0.48
HTT P42858 1/20 0.48
KLK7 P49862 1/20 0.48
ADRA2A P08913 1/20 0.46
ADRA2B P18089 1/20 0.46
ADRA2C P18825 1/20 0.46
ADRA1A P35348 1/20 0.46
MALT1 Q9UDY8 1/20 0.44
TRPV1 Q8NER1 7/20 0.43
PARP14 Q460N5 1/20 0.43
AR P10275 1/20 0.42
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL27034898 0.80 KDM4E (0.62) HDAC6MAPTHTTADRA2AADRA2B
SCHEMBL5551553 0.80 HDAC1 (0.70) HDAC6HDAC1HDAC7HDAC8MAPT
SCHEMBL14665804 0.79 ADRA2A (0.50) HDAC6MAPTADRA2AADRA2BADRA2C
SCHEMBL24652555 0.76 ALDH1A1 (0.55) HDAC6MAPTADRA2AADRA2BADRA2C
SCHEMBL17737762 0.76 NPC1 (0.66) HDAC6HDAC1JAK2TP53HTT
SCHEMBL30033306 0.76 TRPV1 (0.46) HDAC6MALT1TRPV1
SCHEMBL20319581 0.76 MALT1 (0.39) HDAC6MAPTADRA2AADRA2BADRA2C
SCHEMBL30033663 0.73 TMPRSS4 (0.51) TRPV1MEN1KMT2A
SCHEMBL945011 0.73 SMN1; SMN2 (0.60) HDAC6HDAC1HDAC7HDAC8MAPT
SCHEMBL1277271 0.73 TRPV1 (0.52) HDAC6MAPTADRA2AADRA2BADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240352021-A1 COVALENT EGFR INHIBITORS AND METHODS OF USE THEREOF THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2024-10-24 US disclosed
EP-4419529-A1 COVALENT EGFR INHIBITORS AND METHODS OF USE THEREOF Dana-Farber Cancer Institute, Inc. (US) 2024-08-28 EP disclosed
WO-2023069959-A1 COVALENT EGFR INHIBITORS AND METHODS OF USE THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-04-27 WO disclosed
US-20170027956-A1 HETEROCYCLIC TYROSINE KINASE INHIBITORS BIOGEN IDEC MA INC. 2017-02-02 US disclosed
US-20170027956-A1 HETEROCYCLIC TYROSINE KINASE INHIBITORS BIOGEN IDEC MA INC. 2017-02-02 US disclosed
US-20170027956-A1 HETEROCYCLIC TYROSINE KINASE INHIBITORS BIOGEN IDEC MA INC. 2017-02-02 US disclosed
US-9273028-B2 Heterocyclic tyrosine kinase inhibitors BIOGEN MA INC. (US) 2016-03-01 US disclosed
US-9273028-B2 Heterocyclic tyrosine kinase inhibitors BIOGEN MA INC. (US) 2016-03-01 US disclosed
US-9273028-B2 Heterocyclic tyrosine kinase inhibitors BIOGEN MA INC. (US) 2016-03-01 US disclosed
EP-2202228-B1 AMIDE COMPOUNDS AND USE OF THE SAME TAKEDA PHARMACEUTICAL (JP) 2014-12-10 EP disclosed
US-20130345192-A1 HETEROCYCLIC TYROSINE KINASE INHIBITORS SUNESIS PHARMACEUTICALS, INC. (US) 2013-12-26 US disclosed
EP-2632898-A1 HETEROCYCLIC TYROSINE KINASE INHIBITORS Biogen Idec MA Inc. (US) 2013-09-04 EP disclosed
US-8329691-B2 Amide compounds and use of the same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-12-11 US disclosed
WO-2012058645-A1 HETEROCYCLIC TYROSINE KINASE INHIBITORS BIOGEN IDEC MA INC. (US) 2012-05-03 WO disclosed
US-20100324010-A1 AMIDE COMPOUNDS AND USE OF THE SAME TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-23 US disclosed
EP-2202228-A1 AMIDE COMPOUNDS AND USE OF THE SAME Takeda Pharmaceutical Company Limited (JP) 2010-06-30 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 (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-20100324010-A1 AMIDE COMPOUNDS AND USE OF THE SAME REN, ACE, AGT HDAC6 607/4885HDAC1 20/4885HDAC7 55/4885
US-20240352021-A1 COVALENT EGFR INHIBITORS AND METHODS OF USE THEREOF EGFR, ERBB2, ERBB3 HDAC6 478/4885HDAC1 1022/4885HDAC7 1302/4885
US-20170027956-A1 HETEROCYCLIC TYROSINE KINASE INHIBITORS TEC, ABL1, LCK HDAC6 720/4885HDAC1 1046/4885HDAC7 1285/4885
US-20130345192-A1 HETEROCYCLIC TYROSINE KINASE INHIBITORS TEC, ABL1, LCK HDAC6 720/4885HDAC1 1046/4885HDAC7 1285/4885

“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.