SCHEMBL4465183

SCHEMBL4465183

c1[nH]nnc1N1CCNCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BPTF Q12830 3/20 0.47
PLD1 Q13393 2/20 0.44
CASP1 P29466 1/20 0.44
CASP4 P49662 1/20 0.44
CASP5 P51878 1/20 0.44
HRH4 Q9H3N8 1/20 0.43
ALDH1A1 P00352 4/20 0.42
HTR3E A5X5Y0 4/20 0.42
HTR3B O95264 4/20 0.42
HTR3A P46098 4/20 0.42
HTR3D Q70Z44 4/20 0.42
HTR3C Q8WXA8 4/20 0.42
KDM4E B2RXH2 3/20 0.42
HTR2C P28335 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
HTR1A P08908 2/20 0.42
HSD17B10 Q99714 2/20 0.42
HTR2A P28223 2/20 0.42
MEN1 O00255 1/20 0.42

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
Hydrochloric Acid SCHEMBL28019382 0.98 BPTF (0.46) BPTFPLD1CASP1CASP4CASP5
SCHEMBL17610176 0.87
SCHEMBL1013538 0.83
SCHEMBL935607 0.83 CYP1A2 (0.39) CASP1CASP4CASP5HRH4ALDH1A1
Hydrochloric Acid SCHEMBL9551436 0.81 CYP1A2 (0.38) CASP1CASP4CASP5HRH4ALDH1A1
SCHEMBL19839765 0.81 CYP1A2 (0.42) CASP1CASP4CASP5HRH4ALDH1A1
SCHEMBL2992722 0.81 CYP1A2 (0.42) CASP1CASP4CASP5HRH4ALDH1A1
Hydrochloric Acid SCHEMBL28005032 0.79 CYP1A2 (0.41) CASP1CASP4CASP5HRH4ALDH1A1
SCHEMBL2821690 0.78 CYP2C19 (0.41) ALDH1A1CYP1A2MEN1CYP2C19KMT2A
SCHEMBL5830533 0.78 CNR2 (0.32) ALDH1A1KDM4ECYP1A2HSD17B10CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118852137-A Triazole piperazine compound and preparation method and application thereof 山东大学深圳研究院 2024-10-29 CN claimed
CN-115551867-B Fused tricyclic compounds, pharmaceutical compositions and uses thereof 劲方医药科技(上海)有限公司 2024-02-20 CN claimed
US-20230203060-A1 FUSED TRICYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF GENFLEET THERAPEUTICS (SHANGHAI) INC. (CN) 2023-06-29 US claimed
EP-4159739-A1 FUSED TRICYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF Genfleet Therapeutics (Shanghai) Inc. (CN) 2023-04-05 EP claimed
CN-115551867-A Fused tricyclic compound, pharmaceutical composition and application thereof 劲方医药科技(上海)有限公司 2022-12-30 CN claimed
WO-2021239058-A1 FUSED TRICYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF 劲方医药科技(上海)有限公司 2021-12-02 WO claimed
CN-111499640-A Chiral resolution method of piperazinotriazole derivatives 上海医药工业研究院 2020-08-07 CN claimed
EP-2881395-B1 PIPERAZINOTRIAZOLE COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF IN DRUG PREPARATION SHANGHAI INST MATERIA MEDICA CAS (CN) 2018-09-05 EP claimed
CN-103570725-B Piperazidinoltriazole compound as well as preparation method and application thereof 中国科学院上海药物研究所 2017-03-22 CN claimed
US-20150166544-A1 PIPERAZINOTRIAZOLE COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF IN DRUG PREPARATION SHANGHAI ACEBRIGHT PHARMACEUTICALS CO., LTD. (CN) 2015-06-18 US claimed
EP-2881395-A1 PIPERAZINOTRIZOLE COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF IN DRUG PREPARATION Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2015-06-10 EP claimed
CN-103570725-A Piperazidinoltriazole compound as well as preparation method and application thereof SHANGHAI INST MATERIA MEDICA 2014-02-12 CN claimed
EP-4659658-A1 SENSOR PROTECTIVE FILM AND METHOD OF PREPARATION AND USE Shanghai United Imaging Microelectronics Technology Co., Ltd. (CN) 2025-12-10 EP disclosed
CN-119775261-A Collagen 1 translation inhibitors and methods of use thereof 艾尼莫生物科技公司 2025-04-08 CN disclosed
CN-115427404-B Collagen 1 translation inhibitors and methods of use thereof 艾尼莫生物科技公司 2024-12-13 CN disclosed
CN-118852137-A Triazole piperazine compound and preparation method and application thereof 山东大学深圳研究院 2024-10-29 CN disclosed
CN-1934112-A Fused heterocyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2007-03-21 CN disclosed
US-6894054-B2 Heterocyclic inhibitors of glycine transporter 2 TELIK, INC. (US) 2005-05-17 US disclosed
US-20030073726-A1 Heterocyclic inhibitors of glycine transporter 2 TELIK, INC. 2003-04-17 US disclosed
EP-0397327-B1 Process for dissolving tin and tin alloys TOKAI ELECTRO CHEMICAL CO (JP) 1996-07-31 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 (3 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-20150166544-A1 PIPERAZINOTRIAZOLE COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF IN DRUG PREPARATION PARP1, PARP11, PARP8 BPTF 156/4885PLD1 2090/4885CASP1 23/4885
US-20230203060-A1 FUSED TRICYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF KRAS, NRAS, TP53 BPTF 2324/4885PLD1 3609/4885CASP1 1606/4885
US-20030073726-A1 Heterocyclic inhibitors of glycine transporter 2 SLC1A2, SLC1A1, SLC1A3 BPTF 2624/4885PLD1 3550/4885CASP1 3160/4885

“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.