SCHEMBL59145

SCHEMBL59145

O=C(Nc1ccc(F)cn1)Oc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
CXCR2 P25025 1/20 0.49
CCNE1 P24864 1/20 0.46
CDK2 P24941 1/20 0.46
CDK5 Q00535 1/20 0.46
ALDH1A1 P00352 2/20 0.45
MAPT P10636 1/20 0.45
GRM5 P41594 2/20 0.45
FAAH O00519 2/20 0.45
RAB9A P51151 3/20 0.45
KDM4E B2RXH2 1/20 0.45
CYP1A2 P05177 1/20 0.45
HPGD P15428 1/20 0.45
RAD51 Q06609 1/20 0.44
NPC1 O15118 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MEN1 O00255 1/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43

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
SCHEMBL32671808 1.00 KMT2A (0.49) KMT2ACXCR2CCNE1CDK2CDK5
SCHEMBL14332503 0.84 ABCB1 (0.53) KMT2A
SCHEMBL29489449 0.82 RAB9A (0.66) KMT2AMAPTRAB9ANPC1NPSR1
SCHEMBL14355062 0.82 CCNE1 (0.46) KMT2ACCNE1CDK2CDK5ALDH1A1
SCHEMBL29739273 0.82 MEN1 (0.51) KMT2ACCNE1CDK2CDK5MEN1
SCHEMBL5788823 0.82 RAB9A (0.58) KMT2ACCNE1CDK2CDK5ALDH1A1
SCHEMBL16172589 0.82 MAPT (0.57) KMT2AALDH1A1MAPTRAB9AKDM4E
SCHEMBL13977907 0.82 CCNE1 (0.46) KMT2ACCNE1CDK2CDK5ALDH1A1
SCHEMBL20644592 0.82 CCNE1 (0.46) KMT2ACCNE1CDK2CDK5ALDH1A1
SCHEMBL59952 0.82 RAB9A (0.66) KMT2AMAPTRAB9ANPC1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114591212-A Human plasma kallikrein inhibitors 拜奥克里斯特制药公司 2022-06-07 CN disclosed
WO-2021127459-A1 GPR139 RECEPTOR MODULATORS BLACKTHORN THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed
EP-3221317-B1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2020-07-22 EP disclosed
CN-107207509-B Substituted bridged ring urea analogs as sirtuin modulators 葛兰素史密斯克莱知识产权(第2 号)有限公司 2020-04-21 CN disclosed
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2020-03-17 US disclosed
US-20190048016-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2019-02-14 US disclosed
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-21 US disclosed
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-21 US disclosed
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-21 US disclosed
US-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-14 US disclosed
WO-2016079711-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-05-26 WO disclosed
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 US disclosed
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 US disclosed
EP-1957485-B1 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER HEALTHCARE LLC (US) 2013-02-13 EP disclosed
US-8143393-B2 Substituted 4-amino-pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER HEALTHCARE LLC (US) 2012-03-27 US disclosed
US-8129379-B2 Substituted 4-amino-pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER HEALTHCARE LLC (US) 2012-03-06 US disclosed
US-20100179125-A1 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER HEALTHCARE LLC (US) 2010-07-15 US disclosed
US-20100063038-A1 Substituted 4-Amino-Pyrrolotriazine Derivatives Useful for Treating Hyper-Proliferative Disorders and Diseases Associated with Angiogenesis BAYER HEALTHCARE LLC 2010-03-11 US disclosed
EP-1957485-A2 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS Bayer Healthcare, LLC (US) 2008-08-20 EP disclosed
WO-2007064931-A2 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER HEALTHCARE LLC (US) 2007-06-07 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 (7 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-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 KMT2A 1438/4885CXCR2 3848/4885CCNE1 2553/4885
US-20100179125-A1 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS CDK4, CDKL4, MKI67 KMT2A 1055/4885CXCR2 2938/4885CCNE1 189/4885
US-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 KMT2A 1922/4885CXCR2 4213/4885CCNE1 1916/4885
US-20100063038-A1 Substituted 4-Amino-Pyrrolotriazine Derivatives Useful for Treating Hyper-Proliferative Disorders and Diseases Associated with Angiogenesis CDK4, CDKL4, MKI67 KMT2A 1107/4885CXCR2 2878/4885CCNE1 214/4885
US-20190048016-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 KMT2A 1870/4885CXCR2 4174/4885CCNE1 1954/4885
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 KMT2A 1870/4885CXCR2 4174/4885CCNE1 1954/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 KMT2A 1438/4885CXCR2 3848/4885CCNE1 2553/4885

“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.