SCHEMBL390083

SCHEMBL390083

O=C1NCCc2ccsc21

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 9/20 0.46
PARP1 P09874 7/20 0.46
PARP11 Q9NR21 5/20 0.46
PDPK1 O15530 1/20 0.46
F7 P08709 1/20 0.41
F3 P13726 1/20 0.41
PNMT P11086 1/20 0.39
NOS3 P29474 1/20 0.39
NOS2 P35228 1/20 0.39
HRH1 P35367 1/20 0.37
HRH4 Q9H3N8 1/20 0.37
KDM4E B2RXH2 1/20 0.36
CHEK1 O14757 2/20 0.36
CES1 P23141 1/20 0.35
MAP2K1 Q02750 1/20 0.35

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
SCHEMBL3974015 0.89 TSHR (0.38) PARP10PARP1PARP11PDPK1PNMT
SCHEMBL161158 0.79
SCHEMBL9334503 0.76 PNMT (0.39) PNMTNOS3NOS2
SCHEMBL19436351 0.76 PNMT (0.39) PNMTNOS3NOS2
SCHEMBL504352 0.73 GSK3B (0.40) PARP10PARP1PARP11PDPK1HRH1
SCHEMBL23844662 0.73 MAP2K1 (0.44) PARP10PARP1PARP11PDPK1F7
SCHEMBL8936321 0.72 CES1 (0.48) PNMTNOS3NOS2HRH1HRH4
SCHEMBL7795075 0.71 PNMT (0.42) PARP10PARP1PARP11PDPK1F7
SCHEMBL8269485 0.71 PDPK1 (0.41) PARP10PARP1PARP11PDPK1PNMT
SCHEMBL15763737 0.70 NOS3 (0.52) PNMTNOS3NOS2CHEK1CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2029610-A2 NOVEL MCH RECEPTOR ANTAGONISTS Eli Lilly & Company (US) 2009-03-04 EP claimed
WO-2007146759-A2 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2007-12-21 WO claimed
WO-2025089147-A1 HERBICIDAL COMPOSITION 株式会社エス・ディー・エス バイオテック 2025-05-01 WO disclosed
CN-117946098-A Pyrimidine PLK1 inhibitor and preparation method and application thereof 上海深势唯思科技有限责任公司 2024-04-30 CN disclosed
US-20230382900-A1 INHIBITORS OF BTK NEWAVE PHARMACEUTICAL INC. 2023-11-30 US disclosed
US-20230139111-A1 DIHYDRONAPHTHYRIDINONE COMPOUND, AND PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF GENFLEET THERAPEUTICS (SHANGHAI) INC. (CN) 2023-05-04 US disclosed
US-20230139111-A1 DIHYDRONAPHTHYRIDINONE COMPOUND, AND PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF GENFLEET THERAPEUTICS (SHANGHAI) INC. (CN) 2023-05-04 US disclosed
US-10669252-B2 Benzazepine derivative, preparation method, pharmaceutical composition and use thereof Shanghai De Novo Pharmatech Co., Ltd. (CN) 2020-06-02 US disclosed
US-20190152941-A1 BENZAZEPINE DERIVATIVE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF Shanghai De Novo Pharmatech Co., Ltd. (CN) 2019-05-23 US disclosed
EP-2681206-B1 MST1 KINASE INHIBITORS AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS INC (US) 2017-06-14 EP disclosed
WO-2015101928-A1 FUSED THIOPHENE AND THIAZOLE DERIVATIVES AS ROR GAMMA MODULATORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2015-07-09 WO disclosed
EP-2029610-A2 NOVEL MCH RECEPTOR ANTAGONISTS Eli Lilly & Company (US) 2009-03-04 EP disclosed
WO-2008079759-A1 BICYCLIC LACTAM FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-07-03 WO disclosed
WO-2008020206-A2 FUSED THIOPHENE DERIVATIVES AS MEK INHIBITORS UCB PHARMA S.A. (BE) 2008-02-21 WO disclosed
WO-2007146758-A2 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2007-12-21 WO disclosed
WO-2007146758-A2 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2007-12-21 WO disclosed
WO-2007146759-A2 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2007-12-21 WO disclosed
WO-2007146759-A2 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2007-12-21 WO disclosed
EP-0416740-A2 Novel compounds with renin-inhibiting activity Beecham Group p.l.c. (GB) 1991-03-13 EP disclosed
US-4193997-A ANTICOAGULANT, HTROMBOSIS, ANALGESICS, ANTIINFLAMMATORY PARCOR (FR) 1980-03-18 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-20230139111-A1 DIHYDRONAPHTHYRIDINONE COMPOUND, AND PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF RIPK1, RIPK4, RIPK3 PARP10 509/4885PARP1 1016/4885PARP11 414/4885
US-20230382900-A1 INHIBITORS OF BTK BTK, SYK, LYN PARP10 321/4885PARP1 1057/4885PARP11 475/4885
US-10669252-B2 Benzazepine derivative, preparation method, pharmaceutical composition and use thereof TLR8, TLR1, TLR5 PARP10 1247/4885PARP1 1362/4885PARP11 836/4885
US-20190152941-A1 BENZAZEPINE DERIVATIVE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF TLR8, TLR1, TLR5 PARP10 1247/4885PARP1 1362/4885PARP11 836/4885

“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.