SCHEMBL3836628

SCHEMBL3836628

Nc1c(C(=O)O)sc2ncccc12

nearest known ligand 0.77

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 5/20 0.77
IKBKB O14920 1/20 0.77
CHUK O15111 1/20 0.77
ADORA2A P29274 1/20 0.59
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
SRC P12931 1/20 0.47
HPGD P15428 2/20 0.47
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.43
USP25 Q9UHP3 2/20 0.43
NAPRT Q6XQN6 1/20 0.43
CDC7 O00311 1/20 0.43
CLK1 P49759 1/20 0.43
DBF4 Q9UBU7 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 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
SCHEMBL4356230 0.87 IKBKB (1.00) LIMK1IKBKBCHUKADORA2AKDM4E
SCHEMBL16581117 0.84 IKBKB (0.68) LIMK1IKBKBCHUKADORA2AKDM4E
SCHEMBL16071455 0.83 IKBKB (0.70) LIMK1IKBKBCHUKADORA2AKDM4E
SCHEMBL16071475 0.81 IKBKB (0.68) LIMK1IKBKBCHUKADORA2AKDM4E
SCHEMBL2896095 0.81 IKBKB (0.68) LIMK1IKBKBCHUKADORA2AKDM4E
SCHEMBL9539962 0.81 KDM4E (0.57) LIMK1IKBKBCHUKADORA2AKDM4E
SCHEMBL10405198 0.81 KDM4E (0.57) LIMK1IKBKBCHUKADORA2AKDM4E
SCHEMBL8242643 0.81 ADORA2A (0.79) LIMK1IKBKBCHUKADORA2AKDM4E
SCHEMBL843920 0.80 KDM4E (0.56) LIMK1IKBKBCHUKADORA2AKDM4E
SCHEMBL15417422 0.80 KDM4E (0.56) LIMK1IKBKBCHUKADORA2AKDM4E

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024150597-A1 THERMOSETTING RESIN COMPOSITION, CURED FILM, SUBSTRATE, AND ELECTRONIC COMPONENT JNC株式会社 2024-07-18 WO disclosed
WO-2024083886-A1 RNA-BINDING MOLECULES WITH A SMALL CORE SCAFFOLD (R-SCORE) AND USES THEREOF MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2024-04-25 WO disclosed
EP-4357343-A1 RNA-BINDING MOLECULES WITH A SMALL CORE SCAFFOLD (R-SCORE) AND USES THEREOF Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2024-04-24 EP disclosed
CN-116410207-A Ubiquitin specific protease inhibitor and preparation method and application thereof 杭州普济远成生物医药科技有限公司 2023-07-11 CN disclosed
CN-115988685-A Synthesis method of halogen substituted thienopyridine compound 烟台宁远药业有限公司 2023-04-18 CN disclosed
US-10947206-B2 cGAS antagonist compounds IMMUNESENSOR THERAPEUTICS, INC. (US) 2021-03-16 US disclosed
CN-111909181-A Ubiquitination specific protease inhibitor and preparation method and application thereof 北京普济远成生物科技有限公司 2020-11-10 CN disclosed
EP-2340021-B1 SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES HOFFMANN LA ROCHE (CH) 2012-11-07 EP disclosed
US-7592455-B2 Bicyclic heteroaromatic compounds as kinase inhibitors UCB PHARMA S.A. (BE) 2009-09-22 US disclosed
EP-1797065-A4 ACYCLIC 1,3-DIAMINES AND USES THEREFOR SMITHKLINE BEECHAM CORP (US) 2009-03-04 EP disclosed
US-20080306107-A1 Compounds ASTRAZENECA AB (SE) 2008-12-11 US disclosed
EP-1513516-B1 SUBSTITUTED 3-AMINO-THIENO(2,3-b) PYRIDINE-2-CARBOXYLIC ACID AMIDE COMPOUNDS AND PROCESSES FOR PREPARING AND THEIR USES BOEHRINGER INGELHEIM PHARMA (US) 2008-12-03 EP disclosed
US-20070259965-A1 Acyclic 1,3-Diamine And Uses Therefor SMITHKLINE BEECHAM CORPORATION 2007-11-08 US disclosed
EP-1797065-A2 ACYCLIC 1,3-DIAMINES AND USES THEREFOR SMITHKLINE BEECHAM CORPORATION (US) 2007-06-20 EP disclosed
WO-2006029210-A2 ACYCLIC 1,3-DIAMINES AND USES THEREFOR SMITHKLINE BEECHAM CORPORATION (US) 2006-03-16 WO disclosed
US-20060025428-A1 Bicyclic heteroaromatic compounds as kinase inhibitors UCB PHARMA S.A. (BE) 2006-02-02 US disclosed
EP-1513516-A1 SUBSTITUTED 3-AMINO-THIENO(2,3-b) PYRIDINE-2-CARBOXYLIC ACID AMIDE COMPOUNDS ANDPROCESSES FOR PREPARING AND THEIR USES BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2005-03-16 EP disclosed
EP-0808318-B1 TRICYCLIC SUBSTITUTED HEXAHYDROBENZ[E]ISOINDOLE ALPHA-1 ADRENERGIC ANTAGONISTS ABBOTT LAB (US) 2000-06-28 EP disclosed
US-5597823-A TREATING BENIGN PROSTATIC HYPERPLASIA ABBOTT LABORATORIES (US) 1997-01-28 US disclosed
WO-1996022992-A1 TRICYCLIC SUBSTITUTED HEXAHYDROBENZ[E]ISOINDOLE ALPHA-1 ADRENERGIC ANTAGONISTS ABBOTT LABORATORIES (US) 1996-08-01 WO 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-10947206-B2 cGAS antagonist compounds CGAS, STING1, GLS2 LIMK1 3961/4885IKBKB 752/4885CHUK 336/4885
US-20060025428-A1 Bicyclic heteroaromatic compounds as kinase inhibitors MAP2K2, MAP2K7, MAP2K6 LIMK1 1169/4885IKBKB 45/4885CHUK 33/4885
US-20080306107-A1 Compounds FURIN, PCSK9, SLC10A1 LIMK1 1715/4885IKBKB 3048/4885CHUK 2936/4885
US-20070259965-A1 Acyclic 1,3-Diamine And Uses Therefor TRPV4, TRPC4, TRPV1 LIMK1 4176/4885IKBKB 3949/4885CHUK 2828/4885

“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.