SCHEMBL197826

SCHEMBL197826

Cc1nc2ccccn2c1C(=O)CBr

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.68
HTT P42858 3/20 0.65
SMN1; SMN2 Q16637 3/20 0.65
ALDH1A1 P00352 5/20 0.65
KDM4E B2RXH2 2/20 0.65
GAA P10253 1/20 0.65
MAPK1 P28482 2/20 0.63
NPSR1 Q6W5P4 1/20 0.62
HSD17B10 Q99714 1/20 0.62
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
SLC27A1 Q6PCB7 1/20 0.58
RXFP1 Q9HBX9 1/20 0.56
MAPT P10636 1/20 0.56
LMNA P02545 2/20 0.55
GLA P06280 1/20 0.54

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
Bromide SCHEMBL21996101 0.98 KMT2A (0.66) KMT2AHTTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL12789839 0.86 KMT2A (0.69) KMT2AHTTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL13494276 0.85 KMT2A (0.68) KMT2AHTTSMN1; SMN2ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL5887507 0.84 ALDH1A1 (0.68) KMT2AHTTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL13210057 0.82 KMT2A (0.64) KMT2AHTTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL22058082 0.81 KMT2A (0.55) KMT2AHTTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL196599 0.81 KMT2A (1.00) KMT2AHTTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL954146 0.81 KMT2A (0.76) KMT2AHTTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL8315301 0.81 KMT2A (1.00) KMT2AHTTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL6113039 0.81 POLB (0.64) KMT2AHTTSMN1; SMN2ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220002296-A1 PHARMACEUTICAL COMPOUNDS AND THERAPEUTIC METHODS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2022-01-06 US disclosed
US-10875861-B1 Therapeutic compounds RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2020-12-29 US disclosed
WO-2020112845-A1 PHARMACEUTICAL COMPOUNDS AND THERAPEUTIC METHODS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2020-06-04 WO disclosed
US-9040706-B2 Pyrrolidine inhibitors of IAP GENENTECH, INC. (US) 2015-05-26 US disclosed
US-9040706-B2 Pyrrolidine inhibitors of IAP GENENTECH, INC. (US) 2015-05-26 US disclosed
US-20140080805-A1 PYRROLIDINE INHIBITORS OF IAP GENENTECH, INC. (US) 2014-03-20 US disclosed
US-20140080805-A1 PYRROLIDINE INHIBITORS OF IAP GENENTECH, INC. (US) 2014-03-20 US disclosed
US-8198299-B2 Cycloalkylidene and heterocycloalkylidene inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-06-12 US disclosed
US-8198299-B2 Cycloalkylidene and heterocycloalkylidene inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-06-12 US disclosed
US-8198299-B2 Cycloalkylidene and heterocycloalkylidene inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-06-12 US disclosed
US-20090176822-A1 PYRROLIDINE INHIBITORS OF IAP GENENTECH, INC. (US) 2009-07-09 US disclosed
US-20090176822-A1 PYRROLIDINE INHIBITORS OF IAP GENENTECH, INC. (US) 2009-07-09 US disclosed
US-20090005374-A1 IMIDAZOPYRIDINYL THIAZOLYL HISTONE DEACETYLASE INHIBITORS GILEAD SCIENCES, INC. 2009-01-01 US disclosed
US-20090005374-A1 IMIDAZOPYRIDINYL THIAZOLYL HISTONE DEACETYLASE INHIBITORS GILEAD SCIENCES, INC. 2009-01-01 US disclosed
WO-2009002534-A1 IMIDAZOPYRIDINYL THIAZOLYL HISTONE DEACETYLASE INHIBITORS GILEAD COLORADO, INC. (US) 2008-12-31 WO disclosed
WO-2009002534-A1 IMIDAZOPYRIDINYL THIAZOLYL HISTONE DEACETYLASE INHIBITORS GILEAD COLORADO, INC. (US) 2008-12-31 WO disclosed
US-7125995-B2 Substituted amidoalkyl uracils and their use as inhibitors of the poly(adp-ribose) synthetase (PARS) BAYER AKTIENGESELLSCHAFT (DE) 2006-10-24 US disclosed
US-20050075347-A1 Substituted amidoalkyl uracils and their use as inhibitors of the poly(adp-ribose) synthetase (pars) BAYER AKTIENGESELLSCHAFT (DE) 2005-04-07 US disclosed
EP-1339699-A1 SUBSTITUTED AMIDOALKYL URACILS AND THE USE THEREOF Bayer Aktiengesellschaft (DE) 2003-09-03 EP disclosed
WO-2002040455-A1 SUBSTITUTED AMIDOALKYL URACILS AND THEIR USE AS INHIBITORS OF THE POLY(ADP-RIBOSE) SYNTHETASE (PARS) BAYER AKTIENGESELLSCHAFT (DE) 2002-05-23 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 (6 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-20090176822-A1 PYRROLIDINE INHIBITORS OF IAP BIRC5, XIAP, BIRC2 KMT2A 3431/4885HTT 1033/4885SMN1; SMN2 2913/4885
US-20090005374-A1 IMIDAZOPYRIDINYL THIAZOLYL HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC8, HDAC5 KMT2A 93/4885HTT 1725/4885SMN1; SMN2 2119/4885
US-10875861-B1 Therapeutic compounds H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, TP53, RB1 KMT2A 1216/4885HTT 2418/4885SMN1; SMN2 1567/4885
US-20140080805-A1 PYRROLIDINE INHIBITORS OF IAP BIRC5, XIAP, BIRC2 KMT2A 3431/4885HTT 1033/4885SMN1; SMN2 2913/4885
US-20050075347-A1 Substituted amidoalkyl uracils and their use as inhibitors of the poly(adp-ribose) synthetase (pars) UNG, UMPS, PARP1 KMT2A 3768/4885HTT 2296/4885SMN1; SMN2 2826/4885
US-20220002296-A1 PHARMACEUTICAL COMPOUNDS AND THERAPEUTIC METHODS BMI1, GLI1, MCL1 KMT2A 219/4885HTT 21/4885SMN1; SMN2 543/4885

“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.