SCHEMBL14955110

SCHEMBL14955110

NC(=O)c1ccc2cc(Br)c[c]c2n1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.38
PTPN1 P18031 1/20 0.37
GRM2 Q14416 2/20 0.35
LMNA P02545 2/20 0.34
CASP1 P29466 1/20 0.34
LCK P06239 1/20 0.33
PARP1 P09874 1/20 0.33
RXFP1 Q9HBX9 1/20 0.32
DGAT1 O75907 1/20 0.31
NNMT P40261 1/20 0.31
MAP3K14 Q99558 1/20 0.31
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
ATM Q13315 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL11972998 0.81 PIM1 (0.38) PIM1PTPN1GRM2LMNALCK
SCHEMBL4482433 0.77 APP (0.43) PIM1GRM2CASP1PARP1NNMT
SCHEMBL11973737 0.74 SCN9A (0.38) PIM1PTPN1SMN1; SMN2
SCHEMBL18249554 0.73 ADA (0.34) PIM1LCK
SCHEMBL18249538 0.72 PARP1 (0.36) PIM1PARP1MAPT
SCHEMBL16093684 0.71 BACE1 (0.55) PIM1PTPN1GRM2PARP1RXFP1
SCHEMBL19329369 0.71 PIM1 (0.49) PIM1PTPN1LMNALCKPARP1
SCHEMBL5447285 0.71 GRM2 (0.33) PIM1PTPN1GRM2DGAT1NNMT
SCHEMBL18249543 0.69 KDM4E (0.47) PIM1LMNA
SCHEMBL24151479 0.69 BACE1 (0.53) PIM1PTPN1GRM2LMNAPARP1

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 PIM1 4541/4885PTPN1 1877/4885GRM2 853/4885
US-20170121344-A1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS TTPA, TPMT, SLC19A2 PIM1 4541/4885PTPN1 1877/4885GRM2 853/4885
US-20160152635-A1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS TTPA, TPMT, SLC19A2 PIM1 4482/4885PTPN1 1675/4885GRM2 938/4885

“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.