SCHEMBL429441

SCHEMBL429441

Cc1cc(C(F)(F)F)c2c(N)c(C(=O)Nc3cccc(C(F)(F)F)c3)sc2n1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.71
NPC1 O15118 6/20 0.63
RAB9A P51151 6/20 0.63
MAPT P10636 6/20 0.63
ALDH1A1 P00352 2/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
USP2 O75604 2/20 0.63
NPSR1 Q6W5P4 2/20 0.63
CASP1 P29466 1/20 0.63
CASP7 P55210 1/20 0.63
KMT2A Q03164 5/20 0.56
MEN1 O00255 4/20 0.56
TDP1 Q9NUW8 3/20 0.55
KDM4E B2RXH2 1/20 0.54
GAA P10253 1/20 0.54
MAPK1 P28482 1/20 0.54
HTT P42858 1/20 0.54
TP53 P04637 1/20 0.53
FOXM1 Q08050 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53

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
SCHEMBL425477 0.91 RAB9A (0.69) LMNANPC1RAB9AMAPTALDH1A1
SCHEMBL14962895 0.91 MAPT (0.58) LMNANPC1RAB9AMAPTALDH1A1
SCHEMBL4892272 0.90 LMNA (0.73) LMNANPC1RAB9AMAPTALDH1A1
SCHEMBL19000073 0.88 LMNA (0.57) LMNANPC1RAB9AMAPTALDH1A1
SCHEMBL10134575 0.85 RAB9A (0.74) LMNANPC1RAB9AMAPTALDH1A1
SCHEMBL430321 0.85 RAB9A (0.77) LMNANPC1RAB9AMAPTALDH1A1
SCHEMBL4890105 0.84 CHRM4 (0.63) LMNANPC1RAB9AMAPTALDH1A1
SCHEMBL13186363 0.84 RAB9A (0.58) LMNANPC1RAB9AMAPTALDH1A1
SCHEMBL14955291 0.84 TDP1 (0.65) LMNANPC1RAB9AMAPTALDH1A1
SCHEMBL13568311 0.84 LMNA (0.73) LMNANPC1RAB9AMAPTALDH1A1

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2400845-B1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS SIGA TECH INC (US) 2017-02-22 EP disclosed
US-9301949-B2 Thienopyridine derivatives for the treatment and prevention of dengue virus infections SIGA TECHNOLOGIES, INC. (US) 2016-04-05 US disclosed
US-9301949-B2 Thienopyridine derivatives for the treatment and prevention of dengue virus infections SIGA TECHNOLOGIES, INC. (US) 2016-04-05 US disclosed
WO-2014089378-A1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS SIGA TECHNOLOGIES, INC. (US) 2014-06-12 WO disclosed
US-20130150399-A1 INHIBITORS OF THE UNFOLDED PROTEIN RESPONSE AND METHODS FOR THEIR USE THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2013-06-13 US disclosed
US-8372861-B2 Inhibitors of the unfolded protein response and methods for their use THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2013-02-12 US disclosed
US-8372861-B2 Inhibitors of the unfolded protein response and methods for their use THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2013-02-12 US disclosed
US-20120022046-A1 Thienopyridine Derivatives for the Treatment and Prevention of Dengue Virus Infections SIGA TECHNOLOGIES, INC. 2012-01-26 US disclosed
US-20120022046-A1 Thienopyridine Derivatives for the Treatment and Prevention of Dengue Virus Infections SIGA TECHNOLOGIES, INC. 2012-01-26 US disclosed
US-20120022046-A1 Thienopyridine Derivatives for the Treatment and Prevention of Dengue Virus Infections SIGA TECHNOLOGIES, INC. 2012-01-26 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-20090312362-A1 INHIBITORS OF THE UNFOLDED PROTEIN RESPONSE AND METHODS FOR THEIR USE THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2009-12-17 US disclosed
US-20090312362-A1 INHIBITORS OF THE UNFOLDED PROTEIN RESPONSE AND METHODS FOR THEIR USE THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2009-12-17 US disclosed
US-20090291857-A1 METHODS TO IDENTIFY INHIBITORS OF THE UNFOLDED PROTEIN RESPONSE THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2009-11-26 US disclosed
US-20090291857-A1 METHODS TO IDENTIFY INHIBITORS OF THE UNFOLDED PROTEIN RESPONSE THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2009-11-26 US disclosed
WO-2007101225-A2 METHODS TO IDENTIFY INHIBITORS OF THE UNFOLDED PROTEIN RESPONSE THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2007-09-07 WO disclosed
WO-2007101224-A2 INHIBITORS OF THE UNFOLDED PROTEIN RESPONSE AND METHODS FOR THEIR USE THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2007-09-07 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 LMNA 4264/4885NPC1 2091/4885RAB9A 1654/4885
US-20090312362-A1 INHIBITORS OF THE UNFOLDED PROTEIN RESPONSE AND METHODS FOR THEIR USE XBP1, HSPA5, RNASE1 LMNA 1648/4885NPC1 2719/4885RAB9A 3339/4885
US-20170121344-A1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS TTPA, TPMT, SLC19A2 LMNA 4422/4885NPC1 1976/4885RAB9A 1518/4885
US-20130150399-A1 INHIBITORS OF THE UNFOLDED PROTEIN RESPONSE AND METHODS FOR THEIR USE XBP1, HSPA5, RNASE1 LMNA 1648/4885NPC1 2719/4885RAB9A 3339/4885

“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.