SCHEMBL14955421

SCHEMBL14955421

CCCc1ccc2c(N)c(C(=O)O)sc2n1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.75
KDM4E B2RXH2 6/20 0.58
HSD17B10 Q99714 2/20 0.58
LIMK1 P53667 2/20 0.49
IKBKB O14920 1/20 0.49
RAB9A P51151 7/20 0.47
NPC1 O15118 6/20 0.47
ALDH1A1 P00352 5/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
HPGD P15428 4/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
MAPT P10636 5/20 0.47
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
USP28 Q96RU2 4/20 0.46
USP25 Q9UHP3 4/20 0.46
NPSR1 Q6W5P4 1/20 0.45
MEN1 O00255 4/20 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
SCHEMBL26780528 0.90 ADORA2A (0.73) ADORA2AKDM4EHSD17B10LIMK1IKBKB
SCHEMBL429337 0.89 ADORA2A (0.71) ADORA2AKDM4EHSD17B10LIMK1IKBKB
SCHEMBL19212248 0.89 ADORA2A (0.60) ADORA2AKDM4EHSD17B10LIMK1IKBKB
SCHEMBL26784104 0.84 ADORA2A (0.65) ADORA2AKDM4EHSD17B10LIMK1IKBKB
SCHEMBL22957571 0.84 ADORA2A (0.54) ADORA2AKDM4EHSD17B10LIMK1IKBKB
SCHEMBL12562456 0.82 ADORA2A (0.62) ADORA2AKDM4EHSD17B10LIMK1IKBKB
SCHEMBL22644981 0.81 ADORA2A (0.55) ADORA2AKDM4EHSD17B10LIMK1IKBKB
SCHEMBL5354891 0.80 ADORA2A (0.60) ADORA2AKDM4EHSD17B10LIMK1IKBKB
SCHEMBL25808577 0.78 LIMK1 (0.52) ADORA2AKDM4EHSD17B10LIMK1IKBKB
SCHEMBL29707312 0.78 LIMK1 (0.77) ADORA2AKDM4ELIMK1IKBKBRAB9A

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 6 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
EP-2400845-B1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS SIGA TECH INC (US) 2017-02-22 EP disclosed
US-20160152635-A1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS SIGA TECHNOLOGIES, INC. (US) 2016-06-02 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
US-20130129677-A1 Thienopyridine Derivatives for the Treatment and Prevention of Dengue Virus Infections SIGA TECHNOLOGIES, INC. (US) 2013-05-23 US 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-20130129677-A1 Thienopyridine Derivatives for the Treatment and Prevention of Dengue Virus Infections TTPA, TPMT, SLC19A2 ADORA2A 356/4885KDM4E 1403/4885HSD17B10 3757/4885
US-20170121344-A1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS TTPA, TPMT, SLC19A2 ADORA2A 356/4885KDM4E 1403/4885HSD17B10 3757/4885
US-20160152635-A1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS TTPA, TPMT, SLC19A2 ADORA2A 355/4885KDM4E 1399/4885HSD17B10 3759/4885

“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.