SCHEMBL72023

SCHEMBL72023

[c]1ccccc1Nc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 5/20 0.50
ALDH1A1 P00352 8/20 0.48
TDP1 Q9NUW8 7/20 0.48
TSHR P16473 4/20 0.48
ALOX12 P18054 3/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
ALOX15 P16050 2/20 0.48
PTGS1 P23219 1/20 0.48
SLC6A2 P23975 1/20 0.48
MAPK1 P28482 1/20 0.48
PTGS2 P35354 1/20 0.48
HTR2B P41595 1/20 0.48
MAPT P10636 6/20 0.42
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
AR P10275 1/20 0.42
CYP3A4 P08684 5/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39

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
SCHEMBL10741039 0.87 MAPT (0.47) HSD17B10ALDH1A1TDP1TSHRALOX12
SCHEMBL8938873 0.83 MEN1 (0.39) HSD17B10ALDH1A1TDP1TSHRALOX12
SCHEMBL3932390 0.83 NPC1 (0.41) HSD17B10ALDH1A1TDP1TSHRALOX12
SCHEMBL8727089 0.83 MEN1 (0.38) HSD17B10ALDH1A1TDP1TSHRALOX12
SCHEMBL8718097 0.83 GAA (0.44) HSD17B10ALDH1A1TDP1TSHRALOX12
SCHEMBL27969231 0.83 MAPT (0.54) HSD17B10ALDH1A1TDP1TSHRALOX12
SCHEMBL6418064 0.83 HPGD (0.54) HSD17B10ALDH1A1TDP1TSHRALOX12
SCHEMBL6414564 0.79 ALDH1A1 (0.55) HSD17B10ALDH1A1TDP1TSHRALOX12
SCHEMBL8722523 0.78 TSHR (0.40) HSD17B10ALDH1A1TDP1TSHRALOX12
SCHEMBL8721660 0.78 ABCG2 (0.43) ALDH1A1TSHRMAPTKDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3778576-B1 2-CYANOPYRIMIDIN-4-YL CARBAMATE OR UREA DERIVATIVE OR SALT THEREOF, AND PHARMACEUTICAL COMPOSITION INCLUDING SAME HANLIM PHARMACEUTICAL CO LTD (KR) 2024-04-17 EP claimed
CN-115400114-A Application of non-steroidal organic selenium compound in preparation of medicine for treating or preventing intestinal inflammation related diseases 辽宁大学 2022-11-29 CN claimed
US-20210047301-A1 2-CYANOPYRIMIDIN-4-YL CARBAMATE OR UREA DERIVATIVE OR SALT THEREOF, AND PHARMACEUTICAL COMPOSITION INCLUDING SAME HANLIM PHARMACEUTICAL CO., LTD. (KR) 2021-02-18 US claimed
EP-3778576-A1 2-CYANOPYRIMIDIN-4-YL CARBAMATE OR UREA DERIVATIVE OR SALT THEREOF, AND PHARMACEUTICAL COMPOSITION INCLUDING SAME Hanlim Pharmaceutical Co., Ltd. (KR) 2021-02-17 EP claimed
CN-111956639-A Use of organic selenium compounds for treating diseases associated with neuroinflammation 辽宁大学 2020-11-20 CN claimed
WO-2019190117-A1 2-CYANOPYRIMIDIN-4-YL CARBAMATE OR UREA DERIVATIVE OR SALT THEREOF, AND PHARMACEUTICAL COMPOSITION INCLUDING SAME 한림제약(주) 2019-10-03 WO claimed
CN-110198927-A Process for purifying N-substituted maleimides 株式会社LG化学 2019-09-03 CN claimed
CN-110041272-A 2- (2- chlorphenyl) quinazoline -4 (3H) -one analog derivative and its preparation method and application 中国人民解放军军事科学院军事医学研究院 2019-07-23 CN claimed
CN-109880264-A A kind of high-strength anti-flaming plastic-steel section bar based on organic-silicon-modified polyvinyl chloride 湖南七纬科技有限公司 2019-06-14 CN claimed
CN-108138047-A STABILIZER AND STABILIZATION METHOD 和光纯药工业株式会社 2018-06-08 CN claimed
WO-2000076979-A1 PYRIDINE CARBOXAMIDES AND THEIR USE AS PLANT PROTECTION AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2000-12-21 WO claimed
US-5952475-A CATIONIC THIADIAZOLEDIPHENYLAMINE DYES FOR USE IN INKJET PRINTING AND IN LIGHT-WRITABLE DATA STORAGE MEDIA AND IN DYE TRANSFER FILMS BAYER AKTIENGESELLSCHAFT (DE) 1999-09-14 US claimed
EP-0884367-A2 Cationic diphenylamine dyestuffs and their anhydrobases BAYER AG (DE) 1998-12-16 EP claimed
EP-0757083-A2 Cationic thiazolazo and benzothiazolazo dyestuffs Ciba SC Holding AG (CH) 1997-02-05 EP claimed
EP-0377358-A2 Nitrogen-bearing additives having antioxidant properties, and lubricant compositions comprising same ELF ANTAR FRANCE (FR) 1990-07-11 EP claimed
US-4874849-A FOR DYEING WOOL, POLYAMIDES, LEATHER ORANGE OR BROWN CIBA-GEIGY CORPORATION (US) 1989-10-17 US claimed
US-4161534-A ANTHELMINTICS CIBA-GEIGY CORPORATION (US) 1979-07-17 US claimed
US-4064265-A ANTHELMINTICS CIBA-GEIGY CORPORATION (US) 1977-12-20 US claimed
US-4048153-A Azo dyes having an optionally substituted 1-azo-3-nitro-4-arylaminophenyl nucleus SANDOZ LTD. (CH) 1977-09-13 US claimed
US-4018611-A Non-yellowing antimicrobial compositions comprising diiodomethyl sulfones METALORGANA ETABLISSEMENT (FL) 1977-04-19 US claimed

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-20210047301-A1 2-CYANOPYRIMIDIN-4-YL CARBAMATE OR UREA DERIVATIVE OR SALT THEREOF, AND PHARMACEUTICAL COMPOSITION INCLUDING SAME CTSK, CTSS, CTSZ HSD17B10 3057/4885ALDH1A1 4627/4885TDP1 3779/4885

“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.