SCHEMBL160087

SCHEMBL160087

N#CCc1ccc(F)cc1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 5/20 0.40
NAAA Q02083 1/20 0.35
PKM P14618 1/20 0.35
MPO P05164 1/20 0.34
SLC6A4 P31645 1/20 0.34
ALDH1A1 P00352 3/20 0.34
MAPT P10636 2/20 0.34
HTT P42858 1/20 0.34
IDO1 P14902 2/20 0.33
AGXT P21549 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
P2RX7 Q99572 2/20 0.33
LMNA P02545 1/20 0.33
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
RXRG P48443 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP2A6 P11509 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL534703 0.84 CSNK2A1 (0.40) CSNK2A1PKMMPOSLC6A4ALDH1A1
SCHEMBL30814733 0.84 CSNK2A1 (0.40) CSNK2A1PKMMPOSLC6A4ALDH1A1
SCHEMBL19926527 0.81 MPO (0.42) NAAAPKMMPOSLC6A4ALDH1A1
SCHEMBL29700948 0.79 IDO1 (0.48) MPOSLC6A4ALDH1A1MAPTIDO1
SCHEMBL2112768 0.79 CSNK2A1 (0.51) CSNK2A1ALDH1A1TDP1L3MBTL1CYP2A6
SCHEMBL548158 0.79 IDO1 (0.48) MPOSLC6A4ALDH1A1MAPTIDO1
Hydrochloric Acid SCHEMBL17204528 0.78 IDO1 (0.50) MPOSLC6A4ALDH1A1MAPTIDO1
SCHEMBL3076688 0.78 CA3 (0.46) MPOSLC6A4MAPTIDO1AGXT
SCHEMBL25275619 0.76 CSNK2A1 (0.40) CSNK2A1ALDH1A1MAPTTDP1L3MBTL1
SCHEMBL1569635 0.76 CYP2A6 (0.49) CSNK2A1SLC6A4MAPTHTTIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102675288-A 2-((2-(bi(2-picolyl) amino) ethyl) amino)-4-(3,6,6-trimethyl-4-oxyl-4,5,6,7-tetrahydroindazolyl) benzamide and preparation as well as application UNIV BEIJING NORMAL 2012-09-19 CN claimed
US-20250120980-A1 DIBENZODIAZEPINE COMPOUNDS AND USE IN INTERFERON ACTIVATOR PROTEIN AGONISTS THEREOF HEBEI GRANDIOS PHARMA CO, LTD. (CN) 2025-04-17 US disclosed
CN-117402116-A Process for the preparation of dibenzoazepine compounds and their use as interferon activator protein agonists 河北中科金辉药业有限公司 2024-01-16 CN disclosed
EP-3590340-B1 INTERMEDIATES FOR THE SYNTHESIS OF FUNGICIDAL PYRAZOLES FMC CORP (US) 2023-11-15 EP disclosed
US-20180310562-A1 FUNGICIDAL PYRAZOLE MIXTURES FMC CORP (US) 2018-11-01 US disclosed
US-10015966-B2 Fungicidal pyrazole mixtures E I DU PONT DE NEMOURS AND COMPANY (US) 2018-07-10 US disclosed
CN-106008299-B It is used to prepare the intermediate of antifungal pyrazoles 杜邦公司 2018-05-11 CN disclosed
US-20170260142-A1 SOLID FORMS OF FUNGICIDAL PYRAZOLES DU PONT (US) 2017-09-14 US disclosed
US-20170263871-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND ORGANIC OPTOELECTRONIC DEVICE TIANMA MICRO-ELECTRONICS CO., LTD. (CN) 2017-09-14 US disclosed
EP-2809157-B1 FUNGICIDAL PYRAZOLE MIXTURES DU PONT (US) 2017-09-06 EP disclosed
WO-2012031061-A2 FUNGICIDAL PYRAZOLES AND THEIR MIXTURES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-03-08 WO disclosed
US-20120035214-A1 RENIN INHIBITORS MERCK CANADA INC. (CA) 2012-02-09 US disclosed
EP-2413941-A1 RENIN INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-02-08 EP disclosed
US-8063035-B2 Triazolyl aminopyrimidine compounds ELI LILLY AND COMPANY (US) 2011-11-22 US disclosed
WO-2010114978-A1 RENIN INHIBITORS MERCK SHARP & DOHME CORP. (US) 2010-10-07 WO disclosed
US-20100087431-A1 TRIAZOLYL AMINOPYRIMIDINE COMPOUNDS ELI LILLY AND COMPANY 2010-04-08 US disclosed
CN-101679395-A triazolyl aminopyrimidine compounds LILLY CO ELI 2010-03-24 CN disclosed
EP-2155734-A2 TRIAZOLYL AMINOPYRIMIDINE COMPOUNDS ELI LILLY AND COMPANY (US) 2010-02-24 EP disclosed
WO-2008144223-A2 TRIAZOLYL AMINOPYRIMIDINE COMPOUNDS ELI LILLY AND COMPANY (US) 2008-11-27 WO disclosed
US-4238611-A Polysubstituted derivatives of 10-piperazinodibenzo (b,f) thiepine SPOFA, UNITED PHARMACEUTICAL WORKS (CS) 1980-12-09 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 (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-20250120980-A1 DIBENZODIAZEPINE COMPOUNDS AND USE IN INTERFERON ACTIVATOR PROTEIN AGONISTS THEREOF STING1, IRF3, IFNAR1 CSNK2A1 503/4885NAAA 2027/4885PKM 3369/4885
US-20170263871-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND ORGANIC OPTOELECTRONIC DEVICE OR10J3, RPS10, OR51E2 CSNK2A1 1073/4885NAAA 3610/4885PKM 3697/4885
US-20120035214-A1 RENIN INHIBITORS REN, ACE, AGTR1 CSNK2A1 4458/4885NAAA 1138/4885PKM 2635/4885
US-20170260142-A1 SOLID FORMS OF FUNGICIDAL PYRAZOLES NOD1, AFF1, MAST1 CSNK2A1 3900/4885NAAA 1008/4885PKM 3343/4885
US-10015966-B2 Fungicidal pyrazole mixtures CYP1B1, CBR3, CBR1 CSNK2A1 3111/4885NAAA 1462/4885PKM 2523/4885
US-20100087431-A1 TRIAZOLYL AMINOPYRIMIDINE COMPOUNDS DPYD, TP53, TYMP CSNK2A1 2645/4885NAAA 3291/4885PKM 1694/4885
US-20180310562-A1 FUNGICIDAL PYRAZOLE MIXTURES CYP1B1, CBR3, CBR1 CSNK2A1 3111/4885NAAA 1462/4885PKM 2523/4885

“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.