SCHEMBL2747017

SCHEMBL2747017

CN1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 3/20 0.73
KCNH2 Q12809 3/20 0.73
RECQL P46063 1/20 0.71
POLB P06746 2/20 0.68
ALDH1A1 P00352 4/20 0.66
KDM4E B2RXH2 1/20 0.66
KMT2A Q03164 4/20 0.64
MEN1 O00255 3/20 0.64
SIGMAR1 Q99720 1/20 0.64
LMNA P02545 1/20 0.64
MAPT P10636 2/20 0.61
HSP90AA1 P07900 1/20 0.60
HPGD P15428 1/20 0.58
GAA P10253 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.53
SIRT6 Q8N6T7 1/20 0.53

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
SCHEMBL5741299 0.95 KCNJ1 (0.67) KCNJ1KCNH2RECQLPOLBALDH1A1
SCHEMBL1876940 0.86 RECQL (0.72) KCNJ1KCNH2RECQLPOLBALDH1A1
SCHEMBL2384676 0.85 RECQL (0.70) KCNJ1KCNH2RECQLPOLBALDH1A1
SCHEMBL6607225 0.84 RECQL (0.68) KCNJ1KCNH2RECQLPOLBALDH1A1
SCHEMBL4987745 0.82 RECQL (0.67) KCNJ1KCNH2RECQLPOLBALDH1A1
SCHEMBL2388312 0.81 ALDH1A1 (0.67) KCNJ1KCNH2RECQLPOLBALDH1A1
SCHEMBL10668247 0.81 KCNJ1 (0.51) KCNJ1KCNH2RECQLPOLBALDH1A1
SCHEMBL12611028 0.81 KMT2A (0.90) KCNJ1KCNH2RECQLPOLBALDH1A1
SCHEMBL10195746 0.80 MEN1 (0.69) POLBALDH1A1KDM4EKMT2AMEN1
SCHEMBL11385360 0.79 KMT2A (0.62) KCNJ1KCNH2RECQLPOLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11643396-B2 BRD4-kinase inhibitors as cancer therapeutics H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2023-05-09 US disclosed
US-11643396-B2 BRD4-kinase inhibitors as cancer therapeutics H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2023-05-09 US disclosed
US-20200407328-A1 BRD4-KINASE INHIBITORS AS CANCER THERAPEUTICS H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2020-12-31 US disclosed
US-10738016-B2 BRD4-kinase inhibitors as cancer therapeutics H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2020-08-11 US disclosed
US-20190055203-A1 POTENT DUAL BRD4-KINASE INHIBITORS AS CANCER THERAPEUTICS H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2019-02-21 US disclosed
US-20170226065-A1 POTENT DUAL BRD4-KINASE INHIBITORS AS CANCER THERAPEUTICS H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2017-08-10 US disclosed
US-20170226065-A1 POTENT DUAL BRD4-KINASE INHIBITORS AS CANCER THERAPEUTICS H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2017-08-10 US disclosed
WO-2017066428-A1 BRD4-KINASE INHIBITORS AS CANCER THERAPEUTICS H. LEE MOFFITT CANCER CENTER & RESEARCH INSTITUTE, INC. (US) 2017-04-20 WO disclosed
WO-2016022460-A1 POTENT DUAL BRD4-KINASE INHIBITORS AS CANCER THERAPEUTICS H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2016-02-11 WO disclosed
US-8178557-B2 Compounds and methods of use AMGEN INC. (US) 2012-05-15 US disclosed
US-7148249-B2 Indolinones substituted by heterocycles, the preparation thereof and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-12-12 US disclosed
US-20060241115-A1 Compounds and methods of use AMGEN INC. 2006-10-26 US disclosed
US-20060194813-A1 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-08-31 US disclosed
EP-1551830-A2 HETEROCYCLICALLY SUBSTITUTED INDOLINONES AND THEIR USE AS RECEPTOR TYROSINE KINASE INHIBATORS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-07-13 EP disclosed
US-20050107374-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-05-19 US disclosed
EP-1527046-A1 INDOLINE DERIVATIVES SUBSTITUTED IN POSITION 6, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-05-04 EP disclosed
US-20050054710-A1 Indolinones substituted by heterocycles, the preparation thereof and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-03-10 US disclosed
US-20050026914-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-02-03 US disclosed
WO-2004026829-A2 HETEROCYCLICALLY SUBSTITUTED INDOLINONES AND THEIR USE AS RECEPTOR TYROSINE KINASE INHIBITORS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-04-01 WO disclosed
WO-2004009546-A1 INDOLINE DERIVATIVES SUBSTITUTED IN POSITION 6, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-01-29 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 (10 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-20200407328-A1 BRD4-KINASE INHIBITORS AS CANCER THERAPEUTICS BRD4, BICRA, BRDT KCNJ1 2830/4885KCNH2 3660/4885RECQL 1668/4885
US-20050026914-A1 Substituted heterocyclic compounds and methods of use NFATC1, ICOS, BET1 KCNJ1 1348/4885KCNH2 2422/4885RECQL 2857/4885
US-10738016-B2 BRD4-kinase inhibitors as cancer therapeutics BRD4, BICRA, BRDT KCNJ1 2830/4885KCNH2 3660/4885RECQL 1668/4885
US-20060241115-A1 Compounds and methods of use HGF, HGFAC, MET KCNJ1 4724/4885KCNH2 4774/4885RECQL 2560/4885
US-20060194813-A1 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions KDR, FLT1, EGFR KCNJ1 2619/4885KCNH2 2021/4885RECQL 1394/4885
US-20050107374-A1 Substituted heterocyclic compounds and methods of use ICOS, CD4, HLA-DRB1 KCNJ1 3265/4885KCNH2 4398/4885RECQL 4457/4885
US-20190055203-A1 POTENT DUAL BRD4-KINASE INHIBITORS AS CANCER THERAPEUTICS BRD4, BICRA, BRDT KCNJ1 2610/4885KCNH2 3591/4885RECQL 1460/4885
US-11643396-B2 BRD4-kinase inhibitors as cancer therapeutics BRD4, BICRA, BRDT KCNJ1 2830/4885KCNH2 3660/4885RECQL 1668/4885
US-20170226065-A1 POTENT DUAL BRD4-KINASE INHIBITORS AS CANCER THERAPEUTICS BRD4, BICRA, BRDT KCNJ1 2610/4885KCNH2 3591/4885RECQL 1460/4885
US-20050054710-A1 Indolinones substituted by heterocycles, the preparation thereof and their use as medicaments CDK1, CDK2, CDK3 KCNJ1 4068/4885KCNH2 3484/4885RECQL 852/4885

“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.