SCHEMBL425233

SCHEMBL425233

CCc1c(C)nc2sc(C(N)=O)c(N)c2c1C

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.65
NPC1 O15118 2/20 0.65
RAB9A P51151 2/20 0.65
KMT2A Q03164 2/20 0.65
NCOA3 Q9Y6Q9 1/20 0.65
MAPT P10636 4/20 0.56
KDM4E B2RXH2 3/20 0.56
ATM Q13315 1/20 0.56
IKBKB O14920 9/20 0.52
CHUK O15111 1/20 0.52
PRKACA P17612 1/20 0.52
PRKACG P22612 1/20 0.52
PRKACB P22694 1/20 0.52
LIMK1 P53667 1/20 0.52
BTK Q06187 1/20 0.52
CDK8 P49336 2/20 0.52
CDK19 Q9BWU1 2/20 0.52
EEF2K O00418 1/20 0.52
ALDH1A1 P00352 2/20 0.48
CACNA1B Q00975 1/20 0.48

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
SCHEMBL3172346 0.89 HTT (0.55) HTTNPC1RAB9AKMT2ANCOA3
SCHEMBL12562405 0.85 CHRM4 (0.56) HTTNPC1RAB9AKMT2ANCOA3
SCHEMBL3177294 0.85 MAPT (0.62) HTTNPC1RAB9AKMT2ANCOA3
SCHEMBL19769227 0.83 KDM4E (0.65) HTTNPC1RAB9AKMT2ANCOA3
SCHEMBL13392971 0.83 HTT (0.47) HTTNPC1RAB9AKMT2ANCOA3
SCHEMBL3176192 0.82 ALDH1A1 (0.51) HTTNPC1RAB9AKMT2ANCOA3
SCHEMBL3174607 0.81 MAPT (0.49) HTTNPC1RAB9AKMT2ANCOA3
SCHEMBL431864 0.79 HTT (1.00) HTTNPC1RAB9AKMT2ANCOA3
SCHEMBL6111557 0.74 IKBKB (0.59) HTTNPC1RAB9AKMT2ANCOA3
SCHEMBL15222916 0.74 CHRM4 (0.63) HTTNPC1MAPTKDM4EATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7875604-B2 using 3-amino-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2011-01-25 US claimed
US-20080318959-A1 Compounds that Inhibit Hiv Particle Formation UNIVERSITY OF VIRGINIA 2008-12-25 US claimed
WO-2005076861-A2 COMPOUNDS THAT INHIBIT HIV PARTICLE FORMATION UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2005-08-25 WO claimed
US-20180015077-A1 COMPOUNDS AND METHODS FOR TREATING HIV INFECTION NAKAMURA, ROBERT 2018-01-18 US disclosed
US-20180015077-A1 COMPOUNDS AND METHODS FOR TREATING HIV INFECTION NAKAMURA, ROBERT 2018-01-18 US disclosed
EP-3181568-A1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS Siga Technologies, Inc. (US) 2017-06-21 EP disclosed
EP-3181568-A1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS Siga Technologies, Inc. (US) 2017-06-21 EP disclosed
US-20170121344-A1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS SIGA TECHNOLOGIES, INC. (US) 2017-05-04 US disclosed
US-20170121344-A1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS SIGA TECHNOLOGIES, INC. (US) 2017-05-04 US disclosed
US-20170121344-A1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS SIGA TECHNOLOGIES, INC. (US) 2017-05-04 US disclosed
EP-2400845-B1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS SIGA TECH INC (US) 2017-02-22 EP disclosed
US-20120022046-A1 Thienopyridine Derivatives for the Treatment and Prevention of Dengue Virus Infections SIGA TECHNOLOGIES, INC. 2012-01-26 US disclosed
US-7875604-B2 using 3-amino-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2011-01-25 US disclosed
US-7875604-B2 using 3-amino-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2011-01-25 US disclosed
US-7875604-B2 using 3-amino-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2011-01-25 US disclosed
WO-2010099166-A1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS SIGA TECHNOLOGIES, INC. (US) 2010-09-02 WO disclosed
US-20080318959-A1 Compounds that Inhibit Hiv Particle Formation UNIVERSITY OF VIRGINIA 2008-12-25 US disclosed
US-20080318959-A1 Compounds that Inhibit Hiv Particle Formation UNIVERSITY OF VIRGINIA 2008-12-25 US disclosed
US-20080318959-A1 Compounds that Inhibit Hiv Particle Formation UNIVERSITY OF VIRGINIA 2008-12-25 US disclosed
WO-2005076861-A2 COMPOUNDS THAT INHIBIT HIV PARTICLE FORMATION UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2005-08-25 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-20120022046-A1 Thienopyridine Derivatives for the Treatment and Prevention of Dengue Virus Infections TTPA, TPMT, SLC19A2 HTT 2608/4885NPC1 2091/4885RAB9A 1654/4885
US-20170121344-A1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS TTPA, TPMT, SLC19A2 HTT 2588/4885NPC1 1976/4885RAB9A 1518/4885
US-20080318959-A1 Compounds that Inhibit Hiv Particle Formation REV1, VPS51, FLOT1 HTT 3892/4885NPC1 68/4885RAB9A 378/4885
US-20180015077-A1 COMPOUNDS AND METHODS FOR TREATING HIV INFECTION CD4, CCR5, MMP8 HTT 3323/4885NPC1 27/4885RAB9A 2894/4885

“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.