SCHEMBL405248

SCHEMBL405248

Cc1nc(C)c(C(=O)NN)s1

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.70
GAA P10253 11/20 0.57
SMN1; SMN2 Q16637 4/20 0.57
MAPT P10636 2/20 0.57
RAB9A P51151 2/20 0.56
RECQL P46063 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.53
KDM4E B2RXH2 4/20 0.53
NPC1 O15118 3/20 0.53
CNR1 P21554 1/20 0.51
TP53 P04637 1/20 0.50
LMNA P02545 3/20 0.49
TDP1 Q9NUW8 1/20 0.44
HSD11B1 P28845 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
SCHEMBL14260717 0.82 ALDH1A1 (0.57) ALDH1A1GAASMN1; SMN2RAB9ARECQL
SCHEMBL13754002 0.81 NPC1 (0.59) ALDH1A1GAASMN1; SMN2RAB9ARECQL
SCHEMBL19634835 0.80 RAB9A (0.56) ALDH1A1GAASMN1; SMN2MAPTRAB9A
SCHEMBL19113898 0.79 RAB9A (0.51) ALDH1A1GAASMN1; SMN2MAPTRAB9A
SCHEMBL9328693 0.78 RAB9A (0.50) ALDH1A1GAASMN1; SMN2RAB9ARECQL
SCHEMBL15296687 0.78 NPC1 (0.48) ALDH1A1GAASMN1; SMN2MAPTRAB9A
SCHEMBL12669759 0.77 RAB9A (0.53) ALDH1A1GAASMN1; SMN2RAB9ARECQL
SCHEMBL1477812 0.77 RAB9A (0.47) ALDH1A1GAASMN1; SMN2MAPTRAB9A
SCHEMBL3344131 0.77 CNR1 (0.47) ALDH1A1GAASMN1; SMN2MAPTRAB9A
SCHEMBL9529702 0.77 CTSV (0.51) ALDH1A1GAASMN1; SMN2MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10053463-B2 Substituted [1,2,4]triazolo[4,3-a]pyrazines as P2X7 modulators JANSSEN PHARMACEUTICA NV (BE) 2018-08-21 US disclosed
EP-1638938-B1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PREVENTION OF ORTHOPOXVIRUS INFECTIONS AND ASSOCIATED DISEASES SIGA TECH INC (US) 2017-04-12 EP disclosed
EP-2325181-B1 STAT3 INHIBITOR CONTAINING QUINOLINECARBOXAMIDE DERIVATIVE AS ACTIVE INGREDIENT GENERAL INCORPORATED ASS PHARMA VALLEY PROJECT SUPPORTING ORGANIZATION (JP) 2017-03-29 EP disclosed
EP-3006425-A1 PHARMACEUTICAL COMPOSITION FOR USE IN THE TREATMENT AND PREVENTION OF ORTHOPOXVIRUS INFECTIONS AND ASSOCIATED DISEASES Siga Technologies, Inc. (US) 2016-04-13 EP disclosed
US-20160016962-A1 P2X7 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2016-01-21 US disclosed
EP-2970304-A1 P2X7 MODULATORS Janssen Pharmaceutica N.V. (BE) 2016-01-20 EP disclosed
US-20150290190-A1 [1,2,4]TRIAZOLO[4,3-a]PYRAZINES AS P2X7 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2015-10-15 US disclosed
CN-104758281-A Chemicals, compositions, and methods for treatment and prevention of orthopoxvirus infections and associated diseases SIGA TECHNOLOGIES INC 2015-07-08 CN disclosed
US-9045418-B2 Compounds, compositions and methods for treatment and prevention of Orthopoxvirus infections and associated diseases SIGA TECHNOLOGIES, INC. (US) 2015-06-02 US disclosed
US-9040534-B2 [1,2,4]triazolo[4,3-a]pyrazines as P2X7 modulators JANSSEN PHARMACEUTICA NV (BE) 2015-05-26 US disclosed
US-20080004452-A1 Chemicals, compositions, and methods for treatment and prevention of orthopoxvirus infections and associated diseases SIGA TECHNOLOGIES, INC. (US) 2008-01-03 US disclosed
EP-1869017-A1 3- (1,2,4-TRIAZOL-3YLALKYL) AZABRICLO (3.1.0) HEXANE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2007-12-26 EP disclosed
US-20070287735-A1 Chemicals, compositions, and methods for treatment and prevention of orthopoxvirus infections and associated diseases SIGA TECHNOLOGIES, INC. (US) 2007-12-13 US disclosed
WO-2007125061-A1 SPIROCOMPOUNDS USEFUL AS MODULATORS FOR DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2007-11-08 WO disclosed
WO-2007125061-A1 SPIROCOMPOUNDS USEFUL AS MODULATORS FOR DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2007-11-08 WO disclosed
US-20060235051-A1 Compounds, compositions, and methods for treatment and prevention of orthopoxvirus infections and associated diseases SIGA TECHNOLOGIES, INC. (US) 2006-10-19 US disclosed
WO-2006108701-A1 3- (1,2,4-TRIAZOL-3YLALKYL) AZABRICLO (3.1.0) HEXANE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2006-10-19 WO disclosed
EP-1638938-A2 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PREVENTION OF ORTHOPOXVIRUS INFECTIONS AND ASSOCIATED DISEASES Siga Technologies, Inc. (US) 2006-03-29 EP disclosed
US-20060008862-A1 Real time methylumbelliferone-based assay THE HOSPITAL FOR SICK CHILDREN 2006-01-12 US disclosed
WO-2004112718-A2 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PREVENTION OF ORTHOPOXVIRUS INFECTIONS AND ASSOCIATED DISEASES SIGA TECHNOLOGIES, INC. (US) 2004-12-29 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-20070287735-A1 Chemicals, compositions, and methods for treatment and prevention of orthopoxvirus infections and associated diseases OTC, FAHD1, OAT ALDH1A1 1119/4885GAA 239/4885SMN1; SMN2 3328/4885
US-20160016962-A1 P2X7 MODULATORS P2RX5, P2RX1, P2RX7 ALDH1A1 2378/4885GAA 1343/4885SMN1; SMN2 902/4885
US-20060235051-A1 Compounds, compositions, and methods for treatment and prevention of orthopoxvirus infections and associated diseases OTC, FAHD1, OAT ALDH1A1 1899/4885GAA 141/4885SMN1; SMN2 2395/4885
US-20150290190-A1 [1,2,4]TRIAZOLO[4,3-a]PYRAZINES AS P2X7 MODULATORS P2RX7, P2RX5, P2RX2 ALDH1A1 871/4885GAA 3669/4885SMN1; SMN2 4396/4885
US-20080004452-A1 Chemicals, compositions, and methods for treatment and prevention of orthopoxvirus infections and associated diseases OTC, FAHD1, OAT ALDH1A1 1119/4885GAA 239/4885SMN1; SMN2 3328/4885
US-10053463-B2 Substituted [1,2,4]triazolo[4,3-a]pyrazines as P2X7 modulators HTR5A, P2RX5, P2RX3 ALDH1A1 2966/4885GAA 2110/4885SMN1; SMN2 503/4885

“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.