SCHEMBL15802497

SCHEMBL15802497

C[C@@H](Cc1ccc2cc(C#CCCNC(=O)OCc3ccccc3)ccc2c1)C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
CTSS P25774 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.44
MAPT P10636 1/20 0.44
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PTPN1 P18031 1/20 0.40
HTT P42858 1/20 0.39
SLC1A3 P43003 1/20 0.39
SLC1A1 P43005 1/20 0.39
ACACB O00763 1/20 0.39
PLAU P00749 2/20 0.39
KEAP1 Q14145 2/20 0.38
NFE2L2 Q16236 2/20 0.38
CASP1 P29466 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP3A4 P08684 1/20 0.38
GAA P10253 1/20 0.38
ALOX15 P16050 1/20 0.38

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
SCHEMBL15807562 0.93 CTSL (0.48) CTSLCTSBCTSSL3MBTL1MAPT
SCHEMBL15807571 0.90 CTSS (0.46) CTSLCTSBCTSSL3MBTL1MAPT
SCHEMBL15804298 0.85 CTSS (0.51) CTSLCTSBCTSSMAPTPTPN1
SCHEMBL16572120 0.82 HTT (0.48) CTSLCTSBCTSSL3MBTL1MAPT
SCHEMBL10110703 0.82 L3MBTL1 (0.47) CTSLCTSBCTSSL3MBTL1MAPT
SCHEMBL708344 0.82 LMNA (0.49) CTSLCTSBCTSSL3MBTL1MAPT
SCHEMBL15807580 0.81 CTSL (0.41) CTSLCTSBCTSSL3MBTL1MAPT
SCHEMBL15807826 0.81 CTSS (0.53) CTSLCTSBCTSSMAPTPTPN1
SCHEMBL19606590 0.80 CTSS (0.52) CTSLCTSBCTSSMAPTPTPN1
SCHEMBL15839464 0.80 HTT (0.55) CTSLCTSBCTSSL3MBTL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170362187-A1 3,5-DIAMINO-6-CHLORO-N-(N-(4-PHENYLBUTYL)CARBAMIMIDOYL) PYRAZINE-2- CARBOXAMIDE COMPOUNDS PARION SCIENCES, INC. (US) 2017-12-21 US disclosed
US-20170327472-A1 CHLORO-PYRAZINE CARBOXAMIDE DERIVATIVES WITH EPITHELIAL SODIUM CHANNEL BLOCKING ACTIVITY PARION SCIENCES, INC. (US) 2017-11-16 US disclosed
US-9695134-B2 3,5-diamino-6-chloro-N-(n-(4-phenylbutyl)carbamimidoyl)pyrazine-2-carboxamide compounds PARION SCIENCES, INC. (US) 2017-07-04 US disclosed
US-9593084-B2 Chloro-pyrazine carboxamide derivatives with epithelial sodium channel blocking activity PARION SCIENCES, INC. (US) 2017-03-14 US disclosed
US-20150299142-A1 3,5-DIAMINO-6-CHLORO-N-(4-PHENYLBUTYL)CARBAMIMIDOYL) PYRAZINE-2-CARBOXAMIDE COMPOUNDS PARION SCIENCES, INC. (US) 2015-10-22 US disclosed
US-9029382-B2 3,5-diamino-6-chloro-N-(N-(4-phenylbutyl)carbamimidoyl) pyrazine-2-carboxamide compounds PARION SCIENCES, INC. (US) 2015-05-12 US disclosed
US-20140170244-A1 3,5-DIAMINO-6-CHLORO-N-(N-(4-PHENYLBUTYL)CARBAMIMIDOYL) PYRAZINE-2- CARBOXAMIDE COMPOUNDS PARION SCIENCES, INC. (US) 2014-06-19 US disclosed
US-20140171447-A1 CHLORO-PYRAZINE CARBOXAMIDE DERIVATIVES WITH EPITHELIAL SODIUM CHANNEL BLOCKING ACTIVITY PARION SCIENCES, INC. (US) 2014-06-19 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 (5 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-20140170244-A1 3,5-DIAMINO-6-CHLORO-N-(N-(4-PHENYLBUTYL)CARBAMIMIDOYL) PYRAZINE-2- CARBOXAMIDE COMPOUNDS CFTR, SCNN1B, SCN5A CTSL 483/4885CTSB 482/4885CTSS 859/4885
US-20150299142-A1 3,5-DIAMINO-6-CHLORO-N-(4-PHENYLBUTYL)CARBAMIMIDOYL) PYRAZINE-2-CARBOXAMIDE COMPOUNDS CFTR, SCNN1B, SCN5A CTSL 496/4885CTSB 483/4885CTSS 875/4885
US-20140171447-A1 CHLORO-PYRAZINE CARBOXAMIDE DERIVATIVES WITH EPITHELIAL SODIUM CHANNEL BLOCKING ACTIVITY SCNN1B, SCNN1A, SCNN1G CTSL 2426/4885CTSB 1696/4885CTSS 2390/4885
US-20170362187-A1 3,5-DIAMINO-6-CHLORO-N-(N-(4-PHENYLBUTYL)CARBAMIMIDOYL) PYRAZINE-2- CARBOXAMIDE COMPOUNDS CFTR, SCNN1B, SCN5A CTSL 483/4885CTSB 482/4885CTSS 859/4885
US-20170327472-A1 CHLORO-PYRAZINE CARBOXAMIDE DERIVATIVES WITH EPITHELIAL SODIUM CHANNEL BLOCKING ACTIVITY SCNN1B, SCNN1A, SCNN1G CTSL 2426/4885CTSB 1696/4885CTSS 2390/4885

“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.