SCHEMBL5396554

SCHEMBL5396554

CSc1nc2ccsc2c(=O)[nH]1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.59
KMT2A Q03164 1/20 0.58
RAB9A P51151 2/20 0.57
CASP3 P42574 1/20 0.57
SENP8 Q96LD8 1/20 0.57
SENP7 Q9BQF6 1/20 0.57
SENP6 Q9GZR1 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
MAPT P10636 3/20 0.50
SPR P35270 3/20 0.48
PDE5A O76074 1/20 0.46
ALDH1A1 P00352 4/20 0.45
LMNA P02545 1/20 0.45
RXFP1 Q9HBX9 3/20 0.45
HTT P42858 3/20 0.45
KDM4E B2RXH2 2/20 0.45
PDPK1 O15530 1/20 0.45
PARP1 P09874 1/20 0.45
PRNP P04156 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL5437926 0.83 SMN1; SMN2 (0.67) SMN1; SMN2RAB9ACASP3SENP8SENP7
SCHEMBL1369682 0.77 SMN1; SMN2 (0.62) SMN1; SMN2RAB9ACASP3SENP8SENP7
SCHEMBL12505647 0.77 SMN1; SMN2 (0.56) SMN1; SMN2RAB9ACASP3SENP8SENP7
SCHEMBL18701479 0.77 SMN1; SMN2 (0.54) SMN1; SMN2RAB9ACASP3SENP8SENP7
SCHEMBL6034500 0.77 KMT2A (0.54) SMN1; SMN2KMT2ARAB9ACASP3SENP8
SCHEMBL6420959 0.74 SMN1; SMN2 (0.54) SMN1; SMN2RAB9ACASP3SENP8SENP7
SCHEMBL5068159 0.74 SMN1; SMN2 (0.54) SMN1; SMN2RAB9ACASP3SENP8SENP7
SCHEMBL17893461 0.74 SMN1; SMN2 (0.54) SMN1; SMN2RAB9ACASP3SENP8SENP7
SCHEMBL20458007 0.74 SMN1; SMN2 (0.54) SMN1; SMN2RAB9ACASP3SENP8SENP7
SCHEMBL20458014 0.74 SMN1; SMN2 (0.54) SMN1; SMN2RAB9ACASP3SENP8SENP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1436267-B1 LACTAM DERIVATIVES AS ANTAGONISTS FOR HUMAN 11CBY RECEPTORS SMITHKLINE BEECHAM PLC (GB) 2006-12-27 EP claimed
US-20060287321-A1 Novel Lactam Derivatives SMITHKLINE BEECHAM P.L.C. (GB) 2006-12-21 US claimed
US-20050059651-A1 Lactam derivatives as antagonists for human 11cby receptors SMITHKLINE BEECHAM P.L.C. (GB) 2005-03-17 US claimed
EP-3573992-B1 SUBSTITUTED BICYCLIC PYRIMIDINE-BASED COMPOUNDS AND COMPOSITIONS AND USES THEREOF TSANTRIZOS YOULA S (CA) 2022-04-13 EP disclosed
US-11279719-B2 Substituted bicyclic pyrimidine-based compounds and compositions and uses thereof Tsantrizos, Youla S. (CA) 2022-03-22 US disclosed
US-11279719-B2 Substituted bicyclic pyrimidine-based compounds and compositions and uses thereof Tsantrizos, Youla S. (CA) 2022-03-22 US disclosed
EP-3224257-B1 NOVEL METHOD FOR PREPARING THIENOPYRIMIDINE COMPOUND AND INTERMEDIATES USED THEREIN HANMI PHARM IND CO LTD (KR) 2019-10-16 EP disclosed
US-10160770-B2 Method for preparing thienopyrimidine compound and intermediates used therein HANMI PHARM. CO., LTD. (KR) 2018-12-25 US disclosed
US-20180312521-A1 METHOD FOR PREPARING THIENOPYRIMIDINE COMPOUND AND INTERMEDIATES USED THEREIN HANMI PHARM. CO., LTD. (KR) 2018-11-01 US disclosed
US-10040801-B2 Method for preparing thienopyrimidine compound and intermediates used therein HANMI PHARM. CO., LTD. (KR) 2018-08-07 US disclosed
US-10040801-B2 Method for preparing thienopyrimidine compound and intermediates used therein HANMI PHARM. CO., LTD. (KR) 2018-08-07 US disclosed
EP-3224257-A1 NOVEL METHOD FOR PREPARING THIENOPYRIMIDINE COMPOUND AND INTERMEDIATES USED THEREIN Hanmi Pharm. Co., Ltd. (KR) 2017-10-04 EP disclosed
WO-2016108623-A1 NOVEL METHOD FOR PREPARING THIENOPYRIMIDINE COMPOUND AND INTERMEDIATES USED THEREIN HANMI PHARM. CO., LTD. (KR) 2016-07-07 WO disclosed
WO-2016108623-A1 NOVEL METHOD FOR PREPARING THIENOPYRIMIDINE COMPOUND AND INTERMEDIATES USED THEREIN HANMI PHARM. CO., LTD. (KR) 2016-07-07 WO disclosed
US-7220777-B2 Lactam derivatives as antagonists for human 11cby receptors SMITHKLINE BEECHAM P.L.C. (GB) 2007-05-22 US disclosed
EP-1436267-B1 LACTAM DERIVATIVES AS ANTAGONISTS FOR HUMAN 11CBY RECEPTORS SMITHKLINE BEECHAM PLC (GB) 2006-12-27 EP disclosed
US-20060287321-A1 Novel Lactam Derivatives SMITHKLINE BEECHAM P.L.C. (GB) 2006-12-21 US disclosed
US-20050059651-A1 Lactam derivatives as antagonists for human 11cby receptors SMITHKLINE BEECHAM P.L.C. (GB) 2005-03-17 US disclosed
EP-1436267-A1 LACTAM DERIVATIVES AS ANTAGONISTS FOR HUMAN 11CBY RECEPTORS SMITHKLINE BEECHAM PLC (GB) 2004-07-14 EP disclosed
WO-2003033480-A1 LACTAM DERIVATIVES AS ANTAGONISTS FOR HUMAN 11CBY RECEPTORS SMITHKLINE BEECHAM PLC (GB) 2003-04-24 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 (6 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-20180312521-A1 METHOD FOR PREPARING THIENOPYRIMIDINE COMPOUND AND INTERMEDIATES USED THEREIN TK1, ERBB2, ABL1 SMN1; SMN2 3243/4885KMT2A 2584/4885RAB9A 3076/4885
US-20050059651-A1 Lactam derivatives as antagonists for human 11cby receptors ADRB3, GPR3, ADRB1 SMN1; SMN2 3783/4885KMT2A 3139/4885RAB9A 1084/4885
US-10160770-B2 Method for preparing thienopyrimidine compound and intermediates used therein TK1, ERBB2, ABL1 SMN1; SMN2 3243/4885KMT2A 2584/4885RAB9A 3076/4885
US-20060287321-A1 Novel Lactam Derivatives MRPL21, PEPD, STS SMN1; SMN2 2924/4885KMT2A 3839/4885RAB9A 617/4885
US-11279719-B2 Substituted bicyclic pyrimidine-based compounds and compositions and uses thereof GGPS1, TYMP, FDPS SMN1; SMN2 4545/4885KMT2A 4729/4885RAB9A 3743/4885
US-10040801-B2 Method for preparing thienopyrimidine compound and intermediates used therein ERBB2, ABL1, TK1 SMN1; SMN2 3739/4885KMT2A 2495/4885RAB9A 2592/4885

“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.