SCHEMBL1202161

SCHEMBL1202161

Clc1cc(C2CCCC2)c(Cl)nn1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.40
CEL P19835 2/20 0.35
TDO2 P48775 2/20 0.33
GCGR P47871 1/20 0.32
GRM2 Q14416 1/20 0.31
PTGDR Q13258 3/20 0.31
PTGDR2 Q9Y5Y4 3/20 0.31
ALOX15B O15296 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PTGER2 P43116 1/20 0.30
PSMB5 P28074 1/20 0.30
CYP17A1 P05093 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL29986193 1.00 TDP1 (0.40) TDP1CELTDO2GCGRGRM2
SCHEMBL29987339 0.98 TDP1 (0.39) TDP1CELTDO2GCGRGRM2
SCHEMBL10845597 0.98 TDP1 (0.39) TDP1CELTDO2GCGRGRM2
SCHEMBL31524176 0.96 TDP1 (0.40) TDP1CELPSMB5
SCHEMBL30833923 0.96 TDP1 (0.40) TDP1CELPSMB5
SCHEMBL2647857 0.96 TDP1 (0.40) TDP1CELPSMB5
SCHEMBL2662122 0.94 TDP1 (0.36) TDP1CELGCGRGRM2PTGDR
SCHEMBL1188150 0.91 TDP1 (0.43) TDP1ALDH1A1
SCHEMBL29919389 0.91 TDP1 (0.43) TDP1ALDH1A1
SCHEMBL8111724 0.90 TDP1 (0.36) TDP1CELALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230089582-A1 1,2,4-TRIAZINE-3,5-DIONE COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF KPC PHARMACEUTICALS INC (CN) 2023-03-23 US disclosed
EP-4083024-A1 1,2,4-TRIAZINE-3,5-DIONE COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF KPC Pharmaceuticals, Inc. (CN) 2022-11-02 EP disclosed
CN-113278013-B 2, 6-disubstituted 1,2, 4-triazine-3, 5-diketone compound and preparation method and application thereof 昆药集团股份有限公司 2022-09-23 CN disclosed
EP-3759096-B1 CD73 INHIBITORS LILLY CO ELI (US) 2022-02-16 EP disclosed
CN-113278013-A 2, 6-disubstituted 1,2, 4-triazine-3, 5-diketone compound and preparation method and application thereof 昆药集团股份有限公司 2021-08-20 CN disclosed
US-11028074-B2 CD73 inhibitors ELI LILLY AND COMPANY (US) 2021-06-08 US disclosed
WO-2021104288-A1 1,2,4-TRIAZINE-3,5-DIONE COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 昆药集团股份有限公司 2021-06-03 WO disclosed
WO-2021104288-A1 1,2,4-TRIAZINE-3,5-DIONE COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 昆药集团股份有限公司 2021-06-03 WO disclosed
US-20210002257-A1 CD73 INHIBITORS ELI LILLY AND COMPANY 2021-01-07 US disclosed
EP-2944637-B1 NITROGEN-CONTAINING HETEROCYLIC COMPOUND OR SALT THEREOF FUJIFILM CORP (JP) 2020-02-19 EP disclosed
CN-104903320-A Nitrogen-containing heterocylic compound or salt thereof FUJIFILM CORP 2015-09-09 CN disclosed
WO-2014109414-A1 NITROGEN-CONTAINING HETEROCYLIC COMPOUND OR SALT THEREOF 富士フイルム株式会社 (JP) 2014-07-17 WO disclosed
US-20110046127-A1 Imidazopyridazines for Use as Protein Kinase Inhibitors CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2011-02-24 US disclosed
EP-0915875-B1 SUBSTITUTED TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME (GB) 2003-04-09 EP disclosed
US-6255305-B1 PSYCHOLOGICAL DISORDERS MERCK SHARP & DOHME LIMITED (GB) 2001-07-03 US disclosed
EP-0781283-B1 TRIAZOLOPYRIDAZINES PROCESS AND INTERMEDIATES FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-06-06 EP disclosed
EP-0781283-A1 TRIAZOLOPYRIDAZINES PROCESS AND INTERMEDIATES FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS Takeda Chemical Industries, Ltd. (JP) 1997-07-02 EP disclosed
WO-1996008496-A1 TRIAZOLOPYRIDAZINES PROCESS AND INTERMEDIATES FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-03-21 WO disclosed
US-5482939-A ANTI-PLATELET ACTIVATING FACTOR ACTIVITIES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-01-09 US disclosed
US-4628088-A Preparation of substituted pyridazines ELI LILLY AND COMPANY (US) 1986-12-09 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 (4 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-11028074-B2 CD73 inhibitors ENTPD5, NT5E, ENTPD1 TDP1 256/4885CEL 4129/4885TDO2 265/4885
US-20230089582-A1 1,2,4-TRIAZINE-3,5-DIONE COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF THRB, THRA, TSHR TDP1 1882/4885CEL 813/4885TDO2 706/4885
US-20210002257-A1 CD73 INHIBITORS ENTPD5, NT5E, ENTPD1 TDP1 256/4885CEL 4129/4885TDO2 265/4885
US-20110046127-A1 Imidazopyridazines for Use as Protein Kinase Inhibitors PIM1, PIM3, PIM2 TDP1 1364/4885CEL 2611/4885TDO2 4369/4885

“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.