SCHEMBL59604

SCHEMBL59604

CC1(C)OB(c2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2)OC1(C)C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.61
MEN1 O00255 6/20 0.61
MAPT P10636 6/20 0.61
HTT P42858 5/20 0.61
RAB9A P51151 1/20 0.61
KDR P35968 3/20 0.61
PDGFRB P09619 1/20 0.61
LMNA P02545 5/20 0.54
NPSR1 Q6W5P4 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
ALDH1A1 P00352 1/20 0.53
MAPK1 P28482 2/20 0.53
TP53 P04637 2/20 0.53
ALOX15 P16050 1/20 0.53
BRAF P15056 1/20 0.52
MAPK14 Q16539 1/20 0.52
TNNI3K Q59H18 1/20 0.52
POLB P06746 1/20 0.52
XBP1 P17861 1/20 0.52
ALOX12 P18054 1/20 0.52

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
SCHEMBL12491436 0.88 MTOR (0.57) KMT2AMEN1MAPTHTTRAB9A
SCHEMBL59228 0.87 KDR (0.53) KMT2AMEN1MAPTHTTRAB9A
SCHEMBL59095 0.87 KDR (0.53) KMT2AMEN1MAPTHTTRAB9A
SCHEMBL59458 0.87 KMT2A (0.66) KMT2AMEN1MAPTHTTRAB9A
SCHEMBL60251 0.86 KMT2A (0.53) KMT2AMEN1MAPTHTTRAB9A
SCHEMBL59103 0.86 KDR (0.60) KMT2AMEN1MAPTHTTRAB9A
SCHEMBL59298 0.85 KMT2A (0.54) KMT2AMEN1MAPTHTTRAB9A
SCHEMBL22915771 0.85 MEN1 (0.54) KMT2AMEN1MAPTHTTRAB9A
SCHEMBL25272009 0.85 LMNA (0.61) KMT2AMEN1MAPTHTTRAB9A
SCHEMBL3185068 0.84 MAPT (0.61) KMT2AMEN1MAPTHTTKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11613544-B2 Substituted imidazo[1,5-a]pyrazines for modulation of IRE1 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-03-28 US disclosed
US-20210155626-A1 MODULATION OF IRE1 UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION 2021-05-27 US disclosed
US-10822340-B2 Substituted imidazolopyrazine compounds and methods of using same THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-11-03 US disclosed
US-20190084989-A1 MODULATION OF IRE1 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2019-03-21 US disclosed
US-10131668-B2 Substituted imidazo[1,5-a]pYRAZINES for modulation of IRE1 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-11-20 US disclosed
US-20170165259-A1 COMBINED MODULATION OF IRE1 NIH-DEITR 2017-06-15 US disclosed
US-20160024094-A1 MODULATION OF IRE1 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2016-01-28 US disclosed
WO-2016004254-A1 COMBINED MODULATION OF IRE1 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-01-07 WO disclosed
EP-2900673-A1 MODULATION OF IRE1 The Regents of The University of California (US) 2015-08-05 EP disclosed
US-8940778-B2 Indazole, benzisoxazole, and benzisothiazole kinase inhibitors ABBVIE INC. (US) 2015-01-27 US disclosed
EP-1674469-A1 Sulfonamido-macrocycles as Tie2 inhibitors Schering Aktiengesellschaft (DE) 2006-06-28 EP disclosed
EP-1648905-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS Abbott Laboratories (US) 2006-04-26 EP disclosed
EP-1638941-A1 INDAZOLE, BENZISOXAZOLE, AND BENZISOTHIAZOLE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2006-03-29 EP disclosed
US-20050043347-A1 Thienopyridine and furopyridine kinase inhibitors ABBVIE INC. 2005-02-24 US disclosed
WO-2005010009-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2005-02-03 WO disclosed
US-20050026944-A1 Thienopyridine and furopyridine kinase inhibitors ABBOTT LABORATORIES 2005-02-03 US disclosed
US-20050020619-A1 Thienopyridine kinase inhibitors ABBOTT LABORATORIES 2005-01-27 US disclosed
US-20050020603-A1 Indazole, benzisoxazole, and benzisothiazole kinase inhibitors ABBVIE INC. 2005-01-27 US disclosed
WO-2004113304-A1 INDAZOLE, BENZISOXAZOLE, AND BENZISOTHIAZOLE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2004-12-29 WO disclosed
US-20040235892-A1 Indazole and benzisoxazole kinase inhibitors ABBOTT LABORATORIES 2004-11-25 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 (12 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-20190084989-A1 MODULATION OF IRE1 XBP1, HSPA5, ERN2 KMT2A 4125/4885MEN1 4620/4885MAPT 3283/4885
US-10131668-B2 Substituted imidazo[1,5-a]pYRAZINES for modulation of IRE1 XBP1, HSPA5, ERN2 KMT2A 3978/4885MEN1 4735/4885MAPT 3407/4885
US-10822340-B2 Substituted imidazolopyrazine compounds and methods of using same HSPA5, XBP1, ERN2 KMT2A 4296/4885MEN1 4699/4885MAPT 3710/4885
US-20050020619-A1 Thienopyridine kinase inhibitors ABL1, MAP4K2, MAP4K5 KMT2A 1067/4885MEN1 2198/4885MAPT 1332/4885
US-20050020603-A1 Indazole, benzisoxazole, and benzisothiazole kinase inhibitors ABL1, BLK, BTK KMT2A 1422/4885MEN1 2549/4885MAPT 1484/4885
US-11613544-B2 Substituted imidazo[1,5-a]pyrazines for modulation of IRE1 XBP1, HSPA5, ATF4 KMT2A 4106/4885MEN1 4740/4885MAPT 3896/4885
US-20050026944-A1 Thienopyridine and furopyridine kinase inhibitors ABL1, ERBB2, LCK KMT2A 1305/4885MEN1 2197/4885MAPT 2008/4885
US-20210155626-A1 MODULATION OF IRE1 XBP1, HSPA5, ERN2 KMT2A 4125/4885MEN1 4620/4885MAPT 3283/4885
US-20170165259-A1 COMBINED MODULATION OF IRE1 ERN2, ERN1, XBP1 KMT2A 3784/4885MEN1 4417/4885MAPT 3165/4885
US-20040235892-A1 Indazole and benzisoxazole kinase inhibitors ABL1, MAP3K19, MAP3K1 KMT2A 1561/4885MEN1 2321/4885MAPT 3170/4885
US-20160024094-A1 MODULATION OF IRE1 XBP1, HSPA5, ERN2 KMT2A 4125/4885MEN1 4620/4885MAPT 3283/4885
US-20050043347-A1 Thienopyridine and furopyridine kinase inhibitors ABL1, ERBB2, LCK KMT2A 1305/4885MEN1 2197/4885MAPT 2008/4885

“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.