SCHEMBL29909644

SCHEMBL29909644

Clc1ccc2c(Cl)nc(Cl)nc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
NR4A2 P43354 3/20 0.47
ACHE P22303 5/20 0.42
BCHE P06276 2/20 0.42
CHRM1 P11229 1/20 0.42
EPHX2 P34913 1/20 0.42
SOS2 Q07890 1/20 0.41
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
MPO P05164 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 1/20 0.39
F7 P08709 1/20 0.39
F3 P13726 1/20 0.39
DYRK1A Q13627 1/20 0.39
PIK3CG P48736 1/20 0.38
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37

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
SCHEMBL1748521 1.00 POLB (0.50) POLBNR4A2ACHEBCHECHRM1
SCHEMBL30013869 0.83 KDM4E (0.44) NR4A2ACHEBCHEMPOALDH1A1
SCHEMBL405341 0.83 KDM4E (0.44) NR4A2ACHEBCHEMPOALDH1A1
SCHEMBL3314521 0.79 NR4A2 (0.53) POLBNR4A2ACHEBCHECHRM1
SCHEMBL28064440 0.79 POLB (0.47) POLBNR4A2ACHEBCHECHRM1
SCHEMBL12324551 0.79 HTT (0.33) POLBNR4A2ALDH1A1LMNAMAPT
SCHEMBL2424537 0.79 HTT (0.53) ACHEMPOCYP1A2
SCHEMBL29487354 0.79 HTT (0.53) ACHEMPOCYP1A2
SCHEMBL30013659 0.79 ALDH1A1 (0.49) POLBACHEBCHEKMT2AALDH1A1
SCHEMBL30014038 0.79 ACHE (0.42) ACHEBCHEMPOKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118724924-A Pyrimidine compound or pharmaceutically acceptable salt thereof, and preparation method and application thereof 中山大学附属第八医院(深圳福田) 2024-10-01 CN claimed
CN-117120423-B Indolylamine 2, 3-dioxygenase inhibitors, methods of preparing the same, and pharmaceutical compositions containing the same 柳韩洋行 2026-02-27 CN disclosed
CN-116003441-B Heteroaromatic derivative regulator, preparation method and application thereof 江苏豪森药业集团有限公司 2025-06-10 CN disclosed
CN-115925705-B Heteroaromatic derivative regulator, preparation method and application thereof 江苏豪森药业集团有限公司 2024-12-31 CN disclosed
CN-119002178-A Positive resist composition and method for forming resist pattern 湖北鼎龙芯盛科技有限公司 2024-11-22 CN disclosed
CN-118724924-A Pyrimidine compound or pharmaceutically acceptable salt thereof, and preparation method and application thereof 中山大学附属第八医院(深圳福田) 2024-10-01 CN disclosed
CN-118324767-A Diacylglycerol kinase modulating compounds 卡尔那生物科学株式会社 2024-07-12 CN disclosed
EP-4359389-A1 DIACYLGLYERCOL KINASE MODULATING COMPOUNDS GILEAD SCIENCES, INC. (US) 2024-05-01 EP disclosed
CN-117396478-A Diacylglycerol kinase modulating compounds 吉利德科学公司 2024-01-12 CN disclosed
US-20230406860-A1 HETEROCYCLIC SPIRO COMPOUNDS AND METHODS OF USE AMGEN INC. 2023-12-21 US disclosed
CN-116283800-B Oxo quinazoline compound and application thereof 英矽智能科技(上海)有限公司 2023-07-18 CN disclosed
CN-116283800-A Oxo quinazoline compound and application thereof 英矽智能科技(上海)有限公司 2023-06-23 CN disclosed
CN-116239541-A N-phenyl-2-oxo quinazoline compound and application thereof 英矽智能科技(上海)有限公司 2023-06-09 CN disclosed
CN-116003441-A Heteroaromatic derivative regulator, preparation method and application thereof 江苏豪森药业集团有限公司 2023-04-25 CN disclosed
CN-115925705-A Heteroaromatic derivative regulator, preparation method and application thereof 江苏豪森药业集团有限公司 2023-04-07 CN disclosed
CN-115667228-A Salt and crystal form of heteroaromatic derivative and preparation method of salt and crystal form 上海翰森生物医药科技有限公司 2023-01-31 CN disclosed
CN-111511738-B Heteroaromatic derivative regulator, preparation method and application thereof 江苏豪森药业集团有限公司 2023-01-20 CN disclosed
WO-2022271677-A1 DIACYLGLYERCOL KINASE MODULATING COMPOUNDS GILEAD SCIENCES, INC. (US) 2022-12-29 WO disclosed
CN-115362003-A Diacylglycerol kinase modulating compounds 卡尔那生物科学株式会社 2022-11-18 CN disclosed
EP-4081305-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS Carna Biosciences, Inc. (JP) 2022-11-02 EP 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 (1 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-20230406860-A1 HETEROCYCLIC SPIRO COMPOUNDS AND METHODS OF USE KRAS, NRAS, HRAS POLB 2452/4885NR4A2 2744/4885ACHE 4792/4885

“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.