SCHEMBL551606

SCHEMBL551606

c1csc(C2CCCN2)n1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.43
CHRNA4 P43681 3/20 0.43
CHRNA7 P36544 2/20 0.43
MEN1 O00255 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C19 P33261 2/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2A6 P11509 1/20 0.39
CYP2C9 P11712 1/20 0.39
CHRM5 P08912 5/20 0.37
CHRM3 P20309 5/20 0.37
CHRM2 P08172 5/20 0.37
CHRM1 P11229 4/20 0.37
CHRM4 P08173 4/20 0.37

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
Hydrochloric Acid SCHEMBL19259428 0.98 CHRNB2 (0.42) CHRNB2CHRNA4CHRNA7MEN1CYP2D6
SCHEMBL978739 0.94 MEN1 (0.45) CHRNB2CHRNA4CHRNA7MEN1CYP2D6
SCHEMBL7750646 0.79
SCHEMBL18903009 0.79
SCHEMBL787918 0.78 CHRM2 (0.39) CHRM3CHRM2CHRM1
Hydrochloric Acid SCHEMBL4573925 0.77 CHRM2 (0.38) CHRM3CHRM2CHRM1
SCHEMBL8600489 0.75 BAZ2A (0.37)
SCHEMBL11131656 0.74 HTR2C (0.38) CYP2D6CHRM3CHRM2CHRM1
SCHEMBL4005386 0.73 CHRM2 (0.41) CHRM3CHRM2CHRM1
SCHEMBL3923660 0.72 SCN9A (0.39) CHRNB2CHRNA4CHRNA7POLBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113423427-A IRAK degrading agents and uses thereof 凯麦拉医疗公司 2021-09-21 CN disclosed
EP-3594203-B1 SUBSTITUTED PYRROLIDINE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICALS CO (JP) 2021-08-04 EP disclosed
US-11059780-B2 Substituted pyrrolidine compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-07-13 US disclosed
CN-112105385-A IRAK degrading agents and uses thereof 凯麦拉医疗公司 2020-12-18 CN disclosed
US-20200385345-A1 SUBSTITUTED PYRROLIDINE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-12-10 US disclosed
CN-103635472-B Serine/threonine kinase inhibitor 阵列生物制药公司 2018-01-12 CN disclosed
EP-2763535-B1 AZAINDOLES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME (US) 2017-06-07 EP disclosed
US-9133187-B2 Serine/threonine kinase inhibitors ARRAY BIOPHARMA INC. (US) 2015-09-15 US disclosed
US-9096598-B2 Azaindoles as Janus kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2015-08-04 US disclosed
EP-2681215-B1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2015-04-22 EP disclosed
EP-2051980-A1 PYRROLOTRIAZINE KINASE INHIBITORS Brystol-Myers Squibb Company (US) 2009-04-29 EP disclosed
WO-2008128647-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS SANOFI-AVENTIS (FR) 2008-10-30 WO disclosed
CN-101247804-A chemical compound SMITHKLINE BEECHAM CORP (US) 2008-08-20 CN disclosed
WO-2008067481-A1 AZA-INDOLYL COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2008-06-05 WO disclosed
EP-1896014-A2 CHEMICAL COMPOUNDS Smithkline Beecham Corporation (US) 2008-03-12 EP disclosed
WO-2008024724-A1 AZA-BENZOTHIOPHENYL COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2008-02-28 WO disclosed
WO-2008024725-A1 AZA-BENZOFURANYL COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2008-02-28 WO disclosed
WO-2008021924-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-21 WO disclosed
US-20080045496-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 US disclosed
WO-2007005534-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-01-11 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 (3 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-11059780-B2 Substituted pyrrolidine compound and use thereof HCRTR2, HCRTR1, CRHR2 CHRNB2 312/4885CHRNA4 172/4885CHRNA7 201/4885
US-20200385345-A1 SUBSTITUTED PYRROLIDINE COMPOUND AND USE THEREOF HCRTR2, HCRTR1, CRHR2 CHRNB2 312/4885CHRNA4 172/4885CHRNA7 201/4885
US-20080045496-A1 PYRROLOTRIAZINE KINASE INHIBITORS JAK2, NTRK2, NTRK3 CHRNB2 2180/4885CHRNA4 2057/4885CHRNA7 1622/4885

“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.