SCHEMBL12282958

SCHEMBL12282958

Nc1nc(-c2ccncn2)n[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.39
ALOX15 P16050 2/20 0.39
NPC1 O15118 1/20 0.39
ALPL P05186 1/20 0.39
PKM P14618 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ADORA2A P29274 2/20 0.37
ADORA2B P29275 2/20 0.37
ADORA1 P30542 2/20 0.37
MAPK14 Q16539 4/20 0.36
MAPK11 Q15759 3/20 0.36
MAPK9 P45984 3/20 0.36
MAPK13 O15264 2/20 0.36
MAPK12 P53778 2/20 0.36
RAF1 P04049 1/20 0.36
MAPK10 P53779 2/20 0.35

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
SCHEMBL11310435 0.80 SMN1; SMN2 (0.61) L3MBTL1ALOX15NPC1ALPLPKM
SCHEMBL4868465 0.79 L3MBTL1 (0.39) HSP90AA1L3MBTL1ALOX15NPC1ALPL
SCHEMBL2553549 0.76 L3MBTL1 (0.66) HSP90AA1L3MBTL1ALOX15NPC1ALPL
SCHEMBL11312867 0.76 L3MBTL1 (0.53) L3MBTL1ALOX15NPC1ALPLPKM
SCHEMBL2769054 0.73 JAK2 (0.49) L3MBTL1NPC1RAB9AKDM4E
SCHEMBL28038682 0.72 HSP90AA1 (0.50) HSP90AA1L3MBTL1ALOX15TDP1ADORA2A
SCHEMBL19409904 0.72 HSP90AA1 (0.45) HSP90AA1L3MBTL1ALOX15NPC1RAB9A
SCHEMBL18278730 0.71 KDM4E (0.46) HSP90AA1L3MBTL1ALOX15NPC1ALPL
SCHEMBL31023292 0.70 ALDH1A1 (0.39) L3MBTL1ALOX15NPC1ALPLPKM
SCHEMBL20390545 0.70 CCR1 (0.50) L3MBTL1ALOX15NPC1ALPLPKM

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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2560966-B1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN VERSEON INT CORPORATION (US) 2021-01-06 EP disclosed
EP-3421036-B1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS SERINE PROTEASE INHIBITORS VERSEON CORP (US) 2020-11-18 EP disclosed
US-10653674-B2 Multisubstituted aromatic compounds as inhibitors of thrombin VERSEON CORPORATION (US) 2020-05-19 US disclosed
US-10653674-B2 Multisubstituted aromatic compounds as inhibitors of thrombin VERSEON CORPORATION (US) 2020-05-19 US disclosed
US-20190142813-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS SERINE PROTEASE INHIBITORS VERSEON INTERNATIONAL CORPORATION 2019-05-16 US disclosed
US-10251872-B2 Multisubstituted aromatic compounds as serine protease inhibitors VERSEON CORPORATION (US) 2019-04-09 US disclosed
EP-3421036-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS SERINE PROTEASE INHIBITORS Verseon Corporation (US) 2019-01-02 EP disclosed
US-20180214418-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN VERSEON INTERNATIONAL CORPORATION 2018-08-02 US disclosed
US-20180214418-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN VERSEON INTERNATIONAL CORPORATION 2018-08-02 US disclosed
US-20180214418-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN VERSEON INTERNATIONAL CORPORATION 2018-08-02 US disclosed
US-20160122333-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN VERSEON INTERNATIONAL CORPORATION 2016-05-05 US disclosed
US-20160024047-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS SERINE PROTEASE INHIBITORS VERSEON INTERNATIONAL CORPORATION 2016-01-28 US disclosed
US-20160024047-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS SERINE PROTEASE INHIBITORS VERSEON INTERNATIONAL CORPORATION 2016-01-28 US disclosed
WO-2014145986-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS SERINE PROTEASE INHIBITORS VERSEON, INC. (US) 2014-09-18 WO disclosed
WO-2013049591-A2 DUAL INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF VERSEON CORPORATION (US) 2013-04-04 WO disclosed
WO-2013049591-A2 DUAL INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF VERSEON CORPORATION (US) 2013-04-04 WO disclosed
US-20130040950-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN VERSEON CORPORATION (US) 2013-02-14 US disclosed
US-20130040950-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN VERSEON CORPORATION (US) 2013-02-14 US disclosed
US-20130040950-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN VERSEON CORPORATION (US) 2013-02-14 US disclosed
WO-2011126903-A2 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN VERSEON, INC. (US) 2011-10-13 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 (7 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-20190142813-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS SERINE PROTEASE INHIBITORS SPINT2, PRSS1, SERPINB1 HSP90AA1 2727/4885L3MBTL1 1838/4885ALOX15 2716/4885
US-20180214418-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN TFPI, PLAT, SERPINC1 HSP90AA1 2606/4885L3MBTL1 2099/4885ALOX15 1024/4885
US-20160122333-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN TFPI, PLAT, SERPINC1 HSP90AA1 2606/4885L3MBTL1 2099/4885ALOX15 1024/4885
US-10653674-B2 Multisubstituted aromatic compounds as inhibitors of thrombin TFPI, PLAT, SERPINC1 HSP90AA1 2606/4885L3MBTL1 2099/4885ALOX15 1024/4885
US-10251872-B2 Multisubstituted aromatic compounds as serine protease inhibitors SPINT2, PRSS1, SERPINB1 HSP90AA1 2727/4885L3MBTL1 1838/4885ALOX15 2716/4885
US-20160024047-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS SERINE PROTEASE INHIBITORS SPINT2, PRSS1, SERPINB1 HSP90AA1 2727/4885L3MBTL1 1838/4885ALOX15 2716/4885
US-20130040950-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN TFPI, PLAT, SERPINC1 HSP90AA1 2606/4885L3MBTL1 2099/4885ALOX15 1024/4885

“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.