SCHEMBL2553549

SCHEMBL2553549

Nc1nc(-c2ccccn2)n[nH]1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 6/20 0.66
SMN1; SMN2 Q16637 6/20 0.66
TDP1 Q9NUW8 5/20 0.66
ALOX15 P16050 4/20 0.66
NPC1 O15118 4/20 0.66
RAB9A P51151 4/20 0.66
ALPL P05186 2/20 0.66
PKM P14618 1/20 0.66
HSD17B10 Q99714 1/20 0.66
KDM4E B2RXH2 8/20 0.56
TP53 P04637 3/20 0.50
LMNA P02545 5/20 0.48
HTT P42858 5/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
CCR1 P32246 2/20 0.46
CCR5 P51681 2/20 0.46
CCR8 P51685 2/20 0.46
CYP1A2 P05177 1/20 0.46

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
SCHEMBL8311588 0.79 SMN1; SMN2 (1.00) L3MBTL1SMN1; SMN2TDP1ALOX15NPC1
SCHEMBL12283320 0.78 GAA (0.37) L3MBTL1SMN1; SMN2TDP1ALOX15NPC1
SCHEMBL23488326 0.78 SMN1; SMN2 (0.66) L3MBTL1SMN1; SMN2TDP1ALOX15NPC1
SCHEMBL14446896 0.78 SMN1; SMN2 (0.66) L3MBTL1SMN1; SMN2TDP1ALOX15NPC1
SCHEMBL4562661 0.78 SMN1; SMN2 (0.66) L3MBTL1SMN1; SMN2TDP1ALOX15NPC1
SCHEMBL29210947 0.78 SMN1; SMN2 (0.66) L3MBTL1SMN1; SMN2TDP1ALOX15NPC1
SCHEMBL30689185 0.77 SMN1; SMN2 (0.60) L3MBTL1SMN1; SMN2TDP1ALOX15NPC1
SCHEMBL14688313 0.76 SMN1; SMN2 (0.39) L3MBTL1SMN1; SMN2TDP1ALOX15NPC1
SCHEMBL12282958 0.76 HSP90AA1 (0.41) L3MBTL1SMN1; SMN2TDP1ALOX15NPC1
SCHEMBL28115645 0.75 SMN1; SMN2 (0.62) L3MBTL1SMN1; SMN2TDP1ALOX15NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118239923-A Compounds useful as inhibitors of factor XIIa, pharmaceutical compositions and uses thereof 合肥工业大学 2024-06-25 CN disclosed
CN-116730980-A Compound and stereoisomer thereof, or pharmaceutically acceptable salt and application thereof 合肥工业大学智能制造技术研究院 2023-09-12 CN disclosed
US-11191765-B2 Heterocyclic compounds for the inhibition of PASK BIOENERGENIX LLC (US) 2021-12-07 US disclosed
US-11191765-B2 Heterocyclic compounds for the inhibition of PASK BIOENERGENIX LLC (US) 2021-12-07 US disclosed
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-20190142813-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS SERINE PROTEASE INHIBITORS VERSEON INTERNATIONAL CORPORATION 2019-05-16 US disclosed
WO-2014145986-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS SERINE PROTEASE INHIBITORS VERSEON, INC. (US) 2014-09-18 WO disclosed
WO-2014066743-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2014-05-01 WO disclosed
WO-2013049591-A2 DUAL INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF VERSEON CORPORATION (US) 2013-04-04 WO disclosed
EP-2560966-A2 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN Verseon Corporation (US) 2013-02-27 EP 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
WO-2011126903-A2 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN VERSEON, INC. (US) 2011-10-13 WO disclosed
US-4497814-A 2-(Pyridinyl)-1,2,4-triazolo[1,5-a]pyrimidines and derivatives useful in increasing cardiac contractility SCHERING CORPORATION (US) 1985-02-05 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 (4 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 L3MBTL1 1838/4885SMN1; SMN2 3155/4885TDP1 996/4885
US-10653674-B2 Multisubstituted aromatic compounds as inhibitors of thrombin TFPI, PLAT, SERPINC1 L3MBTL1 2099/4885SMN1; SMN2 3708/4885TDP1 388/4885
US-11191765-B2 Heterocyclic compounds for the inhibition of PASK PASK, PDXK, DMPK L3MBTL1 4652/4885SMN1; SMN2 3778/4885TDP1 3089/4885
US-20130040950-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN TFPI, PLAT, SERPINC1 L3MBTL1 2099/4885SMN1; SMN2 3708/4885TDP1 388/4885

“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.