SCHEMBL15059397

SCHEMBL15059397

CC(C)n1cc(B(O)OC(C)(C)C(C)(C)O)cn1

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.37
LRRK2 Q5S007 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
SCHEMBL519312 0.87
SCHEMBL30891 0.80
SCHEMBL2631271 0.79 ACHE (0.41) ACHE
SCHEMBL16426590 0.79
SCHEMBL4212327 0.77 NAMPT (0.34)
SCHEMBL18580542 0.77 GSK3B (0.37)
SCHEMBL2380057 0.77 ACHE (0.35) ACHE
SCHEMBL455008 0.77 KMT2A (0.30)
SCHEMBL4208996 0.74 L3MBTL1 (0.40)
SCHEMBL875563 0.73 ACHE (0.44) ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118955546-A Synthesis method of compound 1-isopropyl pyrazole-3-boric acid pinacol ester 上海毕得医药科技股份有限公司 2024-11-15 CN claimed
US-12428394-B2 2,4-disubstituted pyrimidine derivative, preparation method therefor and use thereof CHENGDU ZENITAR BIOMEDICAL TECHNOLOGY CO., LTD. (CN) 2025-09-30 US disclosed
EP-3947366-B1 HPK1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2025-05-21 EP disclosed
CN-118955546-A Synthesis method of compound 1-isopropyl pyrazole-3-boric acid pinacol ester 上海毕得医药科技股份有限公司 2024-11-15 CN disclosed
CN-118955546-A Synthesis method of compound 1-isopropyl pyrazole-3-boric acid pinacol ester 上海毕得医药科技股份有限公司 2024-11-15 CN disclosed
EP-3985000-B1 2,4-DISUBSTITUTED PYRIMIDINE DERIVATIVE, PREPARATION METHOD FOR SAME, AND USES THEREOF CHENGDU ZENITAR BIOMEDICAL TECH CO LTD (CN) 2024-09-25 EP disclosed
CN-114423750-B 2, 4-Disubstituted pyrimidine derivative, preparation method and application thereof 成都赜灵生物医药科技有限公司 2024-04-19 CN disclosed
WO-2023169453-A1 HETEROAROMATIC RING-CONTAINING ALKYNYL COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 中国科学院上海药物研究所 2023-09-14 WO disclosed
CN-116730978-A Compound containing heteroaromatic ring alkynyl, preparation method and application thereof 中国科学院上海药物研究所 2023-09-12 CN disclosed
US-20220298140-A1 2,4-DISUBSTITUTED PYRIMIDINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF CHENGDU ZENITAR BIOMEDICAL TECHNOLOGY CO., LTD. (CN) 2022-09-22 US disclosed
US-20170174624-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS ABBVIE INC. (US) 2017-06-22 US disclosed
US-20170073333-A1 New Pyrazolyl-substituted Heteroaryls and their use as Medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-03-16 US disclosed
US-9567339-B2 Primary carboxamides as BTK inhibitors ABBVIE INC. (US) 2017-02-14 US disclosed
US-9399645-B2 Inhibitors of HIV replication BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-07-26 US disclosed
US-20150011531-A1 INHIBITORS OF HIV REPLICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-01-08 US disclosed
US-8927536-B2 Tetrahydrothiazepine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-01-06 US disclosed
US-20150005279-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS ABBVIE INC. (US) 2015-01-01 US disclosed
EP-2794613-A1 CONDENSED TRICLYCLIC COMPOUNDS AS INHIBITORS OF HIV REPLICATION Boehringer Ingelheim International GmbH (DE) 2014-10-29 EP disclosed
US-20140080808-A1 TETRAHYDROTHIAZEPINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-03-20 US disclosed
WO-2013091096-A1 CONDENSED TRICLYCLIC COMPOUNDS AS INHIBITORS OF HIV REPLICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-27 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-20150005279-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS BTK, SYK, MYD88 ACHE 4225/4885LRRK2 2155/4885
US-20220298140-A1 2,4-DISUBSTITUTED PYRIMIDINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF JAK2, FLT3, JAK1 ACHE 4847/4885LRRK2 1741/4885
US-20170073333-A1 New Pyrazolyl-substituted Heteroaryls and their use as Medicaments HRH4, HRH2, HRH3 ACHE 3050/4885LRRK2 619/4885
US-12428394-B2 2,4-disubstituted pyrimidine derivative, preparation method therefor and use thereof JAK2, FLT3, JAK1 ACHE 4847/4885LRRK2 1741/4885
US-20140080808-A1 TETRAHYDROTHIAZEPINE DERIVATIVE HSD11B1, HSD11B2, HSD3B1 ACHE 1758/4885LRRK2 1799/4885
US-20150011531-A1 INHIBITORS OF HIV REPLICATION MCM3, REV1, POLR2E ACHE 2208/4885LRRK2 1309/4885
US-20170174624-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS BTK, SYK, MYD88 ACHE 4225/4885LRRK2 2155/4885

“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.