SCHEMBL61457

SCHEMBL61457

Brc1n[nH]c2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.58
GAA P10253 2/20 0.58
PDPK1 O15530 2/20 0.58
CYP3A4 P08684 1/20 0.58
IDO1 P14902 3/20 0.54
ALDH1A1 P00352 2/20 0.54
ALPL P05186 1/20 0.54
HPGD P15428 1/20 0.54
TTK P33981 1/20 0.54
MAPK10 P53779 1/20 0.54
CYP1A2 P05177 2/20 0.48
LRRK2 Q5S007 2/20 0.46
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.46
RAB9A P51151 1/20 0.46
CYP2C19 P33261 1/20 0.45
CDK2 P24941 2/20 0.44
FLT3 P36888 2/20 0.44
DCLK1 O15075 1/20 0.44
PRKD3 O94806 1/20 0.44

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
SCHEMBL29377854 1.00 KDM4E (0.58) KDM4EGAAPDPK1CYP3A4IDO1
SCHEMBL38660856 0.88 KDM4E (0.47) KDM4EGAAPDPK1CYP3A4IDO1
SCHEMBL1023212 0.85 CYP1A2 (0.63) KDM4EGAAPDPK1CYP3A4IDO1
Tert-Butyl Formate SCHEMBL28740575 0.80 CYP1A2 (0.41) KDM4EGAAPDPK1CYP3A4IDO1
SCHEMBL1672674 0.75 IDO1 (0.78) KDM4EGAAPDPK1CYP3A4IDO1
SCHEMBL29481432 0.73 PDPK1 (1.00) KDM4EGAAPDPK1CYP3A4IDO1
SCHEMBL9407409 0.73 KDM4E (0.60) KDM4EGAAPDPK1CYP3A4IDO1
SCHEMBL18878 0.73 PDPK1 (1.00) KDM4EGAAPDPK1CYP3A4IDO1
SCHEMBL30855645 0.73 PDPK1 (0.68) PDPK1HPGDLRRK2CDK2FLT3
SCHEMBL4060640 0.73 ATM (0.57) KDM4EGAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122036679-A Preparation method and application of indazole carboxylic acid 广东大丰植保科技有限公司 2026-05-15 CN claimed
CN-119059958-A Method for aryl debromination acylation of bromobenzazepine compounds 上海沃凯生物技术有限公司 2024-12-03 CN claimed
WO-2024193328-A1 INDAZOLE SUBSTITUTED PODOPHYLLOTOXIN DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF 汤亚杰 2024-09-26 WO claimed
WO-2021070416-A1 THERMOSETTING RESIN COMPOSITION, CURED PRODUCT THEREOF, AND STRUCTURAL BODY INCLUDING SAID CURED PRODUCT 昭和電工株式会社 2021-04-15 WO claimed
EP-2812332-B1 METHODS FOR THE PREPARATION OF HIV ATTACHMENT INHIBITOR PIPERAZINE PRODRUG COMPOUND VIIV HEALTHCARE UK (NO 4) LTD (GB) 2017-08-09 EP claimed
WO-2016183101-A1 PALLADIUM-CATALYZED ARYLATION OF FLUOROALKYLAMINES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-11-17 WO claimed
CN-104080785-B For the method preparing HIV attachment inhibitor piperazine prodrug compound 百时美施贵宝公司 2016-08-31 CN claimed
US-9249168-B2 Methods for the preparation of HIV attachment inhibitor piperazine prodrug compound BRISTOL-MYERS SQUIBB COMPANY (US) 2016-02-02 US claimed
US-20150038711-A1 METHODS FOR THE PREPARATION OF HIV ATTACHMENT INHIBITOR PIPERAZINE PRODRUG COMPOUND VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2015-02-05 US claimed
EP-2812332-A1 METHODS FOR THE PREPARATION OF HIV ATTACHMENT INHIBITOR PIPERAZINE PRODRUG COMPOUND Bristol-Myers Squibb Company (US) 2014-12-17 EP claimed
CN-104080785-A Methods for the preparation of hiv attachment inhibitor piperazine prodrug compound SQUIBB BRISTOL MYERS COMPANY 2014-10-01 CN claimed
WO-2013119625-A1 METHODS FOR THE PREPARATION OF HIV ATTACHMENT INHIBITOR PIPERAZINE PRODRUG COMPOUND BRISTOL-MYERS SQUIBB COMPANY (US) 2013-08-15 WO claimed
US-20130203992-A1 METHODS FOR THE PREPARATION OF HIV ATTACHMENT INHIBITOR PIPERAZINE PRODRUG COMPOUND BRISTOL-MYERS SQUIBB COMPANY (US) 2013-08-08 US claimed
US-4662905-A REACTION PRODUCT OF COPPER SALT AND AN IMIDAZOLE, PYRAZOLE, TRIAZOLE, OR TETRAZOLE Itaru Todoriki, Director of Agency of Industrial Science and Technology (JP) 1987-05-05 US claimed
CN-122060008-A Indazole alkaloid derivative and preparation method and application thereof 江西师范大学 2026-05-19 CN disclosed
CN-122036679-A Preparation method and application of indazole carboxylic acid 广东大丰植保科技有限公司 2026-05-15 CN disclosed
CN-122036679-A Preparation method and application of indazole carboxylic acid 广东大丰植保科技有限公司 2026-05-15 CN disclosed
EP-0683155-A1 Tetrahydrobenz cd indoles with serotonin regulatory activity ELI LILLY AND COMPANY (US) 1995-11-22 EP disclosed
US-5385928-A Antiserotonine agent ELI LILLY AND COMPANY (US) 1995-01-31 US disclosed
US-4662905-A REACTION PRODUCT OF COPPER SALT AND AN IMIDAZOLE, PYRAZOLE, TRIAZOLE, OR TETRAZOLE Itaru Todoriki, Director of Agency of Industrial Science and Technology (JP) 1987-05-05 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 (2 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-20130203992-A1 METHODS FOR THE PREPARATION OF HIV ATTACHMENT INHIBITOR PIPERAZINE PRODRUG COMPOUND FURIN, NAPA, PREP KDM4E 1563/4885GAA 1596/4885PDPK1 2903/4885
US-20150038711-A1 METHODS FOR THE PREPARATION OF HIV ATTACHMENT INHIBITOR PIPERAZINE PRODRUG COMPOUND FURIN, NAPA, PREP KDM4E 1563/4885GAA 1596/4885PDPK1 2903/4885

“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.