SCHEMBL14955151

SCHEMBL14955151

Nc1c(C(=O)Nc2nnc(-c3ccccc3)s2)sc2nc3c(cc12)C(=O)CCCC3

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.67
CYP1A2 P05177 1/20 0.67
CYP3A4 P08684 1/20 0.67
CYP2C9 P11712 1/20 0.67
ADORA2A P29274 2/20 0.65
SMN1; SMN2 Q16637 7/20 0.57
POLB P06746 6/20 0.57
ALDH1A1 P00352 4/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
MEN1 O00255 1/20 0.57
ALOX15 P16050 1/20 0.57
MAPK1 P28482 1/20 0.57
KMT2A Q03164 1/20 0.57
MCL1 Q07820 1/20 0.57
ESR2 Q92731 1/20 0.57
HSD17B10 Q99714 1/20 0.57
TDP1 Q9NUW8 5/20 0.55
NPC1 O15118 5/20 0.55
RAB9A P51151 5/20 0.55
KDM4E B2RXH2 2/20 0.55

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
SCHEMBL192517 0.89 MAPT (0.69) MAPTADORA2ASMN1; SMN2POLBALDH1A1
SCHEMBL426699 0.88 MAPT (0.68) MAPTADORA2ASMN1; SMN2POLBALDH1A1
SCHEMBL432032 0.86 MAPT (0.65) MAPTADORA2ASMN1; SMN2POLBALDH1A1
SCHEMBL14954877 0.83 MAPT (0.51) MAPTCYP1A2CYP3A4CYP2C9ADORA2A
SCHEMBL14955080 0.82 MAPT (0.50) MAPTCYP1A2CYP3A4CYP2C9ADORA2A
SCHEMBL193464 0.81 MAPT (0.55) MAPTADORA2ASMN1; SMN2POLBALDH1A1
Hydrochloric Acid SCHEMBL427190 0.81 MAPT (0.54) MAPTADORA2ASMN1; SMN2POLBALDH1A1
SCHEMBL18537618 0.80 MAPT (0.64) MAPTCYP1A2ADORA2ASMN1; SMN2POLB
SCHEMBL192254 0.80 MAPT (0.55) MAPTSMN1; SMN2POLBALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL426856 0.79 MAPT (0.54) MAPTSMN1; SMN2POLBALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170121344-A1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS SIGA TECHNOLOGIES, INC. (US) 2017-05-04 US claimed
US-20130129677-A1 Thienopyridine Derivatives for the Treatment and Prevention of Dengue Virus Infections SIGA TECHNOLOGIES, INC. (US) 2013-05-23 US claimed
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
WO-2014089378-A1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS SIGA TECHNOLOGIES, INC. (US) 2014-06-12 WO disclosed
US-20130129677-A1 Thienopyridine Derivatives for the Treatment and Prevention of Dengue Virus Infections SIGA TECHNOLOGIES, INC. (US) 2013-05-23 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
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 (2 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 MAPT 85/4885CYP1A2 1330/4885CYP3A4 426/4885
US-20170121344-A1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS TTPA, TPMT, SLC19A2 MAPT 85/4885CYP1A2 1330/4885CYP3A4 426/4885

“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.