SCHEMBL13465804

SCHEMBL13465804

Cc1cnn(C2CCCC2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.47
OGA O60502 1/20 0.45
CHRNB2 P17787 2/20 0.41
CHRNA4 P43681 2/20 0.41
CYP2D6 P10635 2/20 0.39
HRH1 P35367 2/20 0.39
RIPK1 Q13546 1/20 0.39
KCNH2 Q12809 1/20 0.39
PSMB8 P28062 1/20 0.39
PSMB9 P28065 1/20 0.39
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
TYK2 P29597 1/20 0.38
JAK3 P52333 1/20 0.38
MPO P05164 1/20 0.35
BMPR1A P36894 1/20 0.35
ACVRL1 P37023 1/20 0.35
ACVR1 Q04771 1/20 0.35
IDO1 P14902 1/20 0.35
NOS1 P29475 1/20 0.34

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
SCHEMBL797703 0.98 ACHE (0.46) ACHEOGACHRNB2CHRNA4CYP2D6
SCHEMBL13432197 0.96 OGA (0.45) ACHEOGACHRNB2CHRNA4CYP2D6
SCHEMBL255397 0.91
SCHEMBL23865945 0.87 OGA (0.43) ACHEOGACHRNB2CHRNA4CYP2D6
SCHEMBL19807118 0.87 ACHE (0.39) ACHEOGACHRNB2CHRNA4CYP2D6
SCHEMBL19544329 0.85 ACHE (0.38) ACHEOGACHRNB2CHRNA4CYP2D6
SCHEMBL19485452 0.84 ACHE (0.38) ACHEOGACHRNB2CHRNA4CYP2D6
SCHEMBL22296398 0.83 MAPT (0.41) ACHEOGACHRNB2CHRNA4CYP2D6
SCHEMBL10100701 0.82 OGA (0.45) OGACHRNB2CHRNA4JAK2JAK1
SCHEMBL23022259 0.82 OGA (0.42) ACHEOGACHRNB2CHRNA4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024020458-A1 METHOD OF TREATING ORGAN DISEASES OR DISORDERS WITH ASK1 INHIBITORS Seal Rock Therapeutics, Inc. (US) 2024-01-25 WO disclosed
WO-2023235433-A1 BICYCLIC INHIBITORS OF IRAK RIGEL PHARMACEUTICALS, INC. (US) 2023-12-07 WO disclosed
WO-2023141511-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY (US) 2023-07-27 WO disclosed
WO-2023115142-A1 ARYLSULPHONAMIDE COMPOUNDS Anaxis Pharma Pty Ltd (AU) 2023-06-29 WO disclosed
WO-2023096928-A1 HETERO-ATOM CONTAINING COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. (US) 2023-06-01 WO disclosed
WO-2022109001-A1 GCN2 AND PERK KINASE INHIBITORS AND METHODS OF USE THEREOF DECIPHERA PHARMACEUTICALS, LLC (US) 2022-05-27 WO disclosed
EP-3668880-B1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND/OR TRYPTOPHAN 2,3-DIOXYGENASE IDORSIA PHARMACEUTICALS LTD (CH) 2021-10-06 EP disclosed
US-20200216467-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND/OR TRYPTOPHAN 2,3-DIOXYGENASE IDORSIA PHARMACEUTICALS LTD (CH) 2020-07-09 US disclosed
EP-3209664-B1 BICYCLIC HETEROARYL AMINE COMPOUNDS AS PI3K INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-06-03 EP disclosed
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2020-03-17 US disclosed
US-20160229865-A1 COMPOUND INHIBITING ACTIVITIES OF BTK AND/OR JAK3 KINASES Beijing Hanmi Pharmaceutical Co., Ltd. (CN) 2016-08-11 US disclosed
US-20160024089-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2016-01-28 US disclosed
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 US disclosed
US-20140378449-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2014-12-25 US disclosed
US-8916593-B2 Alkoxy-substituted 2-aminopyridines as ALK inhibitors PFIZER INC. (US) 2014-12-23 US disclosed
US-8889673-B2 Triazolopyridine JAK inhibitor compounds and methods GENENTECH, INC. (US) 2014-11-18 US disclosed
US-20140038939-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2014-02-06 US disclosed
US-8518938-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-08-27 US disclosed
US-20130196952-A1 HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF DISEASES PFIZER INC. (US) 2013-08-01 US disclosed
US-20120264747-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS ZHU BING-YAN (US) 2012-10-18 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 (9 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-20140378449-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 ACHE 4002/4885OGA 4873/4885CHRNB2 3813/4885
US-20160229865-A1 COMPOUND INHIBITING ACTIVITIES OF BTK AND/OR JAK3 KINASES BTK, JAK3, JAK2 ACHE 4107/4885OGA 3005/4885CHRNB2 4826/4885
US-20160024089-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 ACHE 4002/4885OGA 4873/4885CHRNB2 3813/4885
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 ACHE 1696/4885OGA 876/4885CHRNB2 4210/4885
US-20120264747-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 ACHE 4002/4885OGA 4873/4885CHRNB2 3813/4885
US-20140038939-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 ACHE 4002/4885OGA 4873/4885CHRNB2 3813/4885
US-20200216467-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND/OR TRYPTOPHAN 2,3-DIOXYGENASE IDO2, IDO1, TDO2 ACHE 158/4885OGA 390/4885CHRNB2 2043/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 ACHE 1696/4885OGA 876/4885CHRNB2 4210/4885
US-20130196952-A1 HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF DISEASES ALK, ETV6, ACVR1 ACHE 4528/4885OGA 1773/4885CHRNB2 3476/4885

“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.