SCHEMBL270732

SCHEMBL270732

CC(C)(C)c1ccc(C(=O)N2CCNCC2)cc1

nearest known ligand 0.97

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.97
MEN1 O00255 6/20 0.71
KMT2A Q03164 6/20 0.71
ALDH1A1 P00352 2/20 0.71
HTT P42858 2/20 0.71
SMN1; SMN2 Q16637 2/20 0.71
ALOX15 P16050 1/20 0.69
SIGMAR1 Q99720 1/20 0.62
KDM4E B2RXH2 1/20 0.55
ABL1 P00519 1/20 0.53
BCR P11274 1/20 0.53
NPC1L1 Q9UHC9 1/20 0.53
LMNA P02545 1/20 0.52
POLB P06746 1/20 0.52
TSHR P16473 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
RAB9A P51151 1/20 0.51
CNR1 P21554 2/20 0.50
CNR2 P34972 2/20 0.50
MKNK1 Q9BUB5 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
SCHEMBL17886770 0.94 HPGD (0.86) HPGDMEN1KMT2AALDH1A1HTT
SCHEMBL20682513 0.86 HPGD (0.72) HPGDMEN1KMT2AALDH1A1HTT
SCHEMBL8358137 0.86 SIGMAR1 (0.81) HPGDALDH1A1SIGMAR1MKNK1MKNK2
SCHEMBL17886799 0.85 GABRD (0.72) HPGDMEN1KMT2AALDH1A1HTT
SCHEMBL4406614 0.84 MEN1 (0.96) HPGDMEN1KMT2AALDH1A1HTT
SCHEMBL270727 0.84 MEN1 (0.90) HPGDMEN1KMT2AALDH1A1HTT
SCHEMBL5373079 0.83 HPGD (0.71) HPGDMEN1KMT2ASIGMAR1TSHR
SCHEMBL12061666 0.83 HPGD (0.69) HPGDMEN1KMT2AALDH1A1HTT
SCHEMBL11300473 0.83 MEN1 (0.87) HPGDMEN1KMT2AALDH1A1HTT
SCHEMBL3460184 0.83 MEN1 (0.87) HPGDMEN1KMT2AALDH1A1HTT

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200039989-A1 SMALL MOLECULE INHIBITORS OF DYRK/CLK AND USES THEREOF ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA 2020-02-06 US disclosed
US-20190233441-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2019-08-01 US disclosed
US-9873709-B2 Triazolopyridine compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2018-01-23 US disclosed
US-9873709-B2 Triazolopyridine compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2018-01-23 US disclosed
US-20170226132-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-08-10 US disclosed
US-20170226132-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-08-10 US disclosed
CN-104262238-B A kind of heteroaromatic biphenyl class Bcr-Abl inhibitor and its preparation method and application 西安交通大学 2016-08-03 CN disclosed
US-20160185780-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2016-06-30 US disclosed
CN-104262245-B A kind of 6-phenylpyridine-2-amine Bcr-Abl inhibitor and its preparation method and application 西安交通大学 2016-06-29 CN disclosed
US-9193731-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-11-24 US disclosed
US-8133900-B2 Use of bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2012-03-13 US disclosed
US-20110212077-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES TARGEGEN, INC. (US) 2011-09-01 US disclosed
WO-2010138820-A2 N,N-DIARYLUREA COMPOUNDS AND N,N'-DIARYLTHIOUREA COMPOUNDS AS INHIBITORS OF TRANSLATION INITIATION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2010-12-02 WO disclosed
US-7825246-B2 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2010-11-02 US disclosed
US-20090286789-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases TARGEGEN, INC. (US) 2009-11-19 US disclosed
US-20090275582-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases IMPACT BIOMEDICINES, INC. 2009-11-05 US disclosed
US-7528143-B2 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2009-05-05 US disclosed
US-7528143-B2 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2009-05-05 US disclosed
US-20070259904-A1 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2007-11-08 US disclosed
US-20070191405-A1 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2007-08-16 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 (9 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-20160185780-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 HPGD 994/4885MEN1 2118/4885KMT2A 1797/4885
US-20090286789-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases JAK2, TYK2, LTK HPGD 3427/4885MEN1 4175/4885KMT2A 1279/4885
US-20070191405-A1 Bi-aryl meta-pyrimidine inhibitors of kinases JAK2, TYK2, JAK3 HPGD 3352/4885MEN1 4047/4885KMT2A 1296/4885
US-20200039989-A1 SMALL MOLECULE INHIBITORS OF DYRK/CLK AND USES THEREOF CLK2, CLK1, CLK3 HPGD 3187/4885MEN1 2213/4885KMT2A 1688/4885
US-20070259904-A1 Bi-aryl meta-pyrimidine inhibitors of kinases JAK2, TYK2, JAK3 HPGD 3352/4885MEN1 4047/4885KMT2A 1296/4885
US-20090275582-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases JAK2, TYK2, JAK3 HPGD 3352/4885MEN1 4047/4885KMT2A 1296/4885
US-20110212077-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES JAK2, TYK2, JAK3 HPGD 3352/4885MEN1 4047/4885KMT2A 1296/4885
US-20190233441-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 HPGD 994/4885MEN1 2118/4885KMT2A 1797/4885
US-20170226132-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 HPGD 994/4885MEN1 2118/4885KMT2A 1797/4885

“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.