SCHEMBL969435

SCHEMBL969435

Fc1ccc(-c2nnc[nH]2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.44
POLB P06746 2/20 0.44
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
NOTUM Q6P988 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPK14 Q16539 4/20 0.37
MAPK13 O15264 2/20 0.37
MAPK9 P45984 2/20 0.37
MAPK12 P53778 2/20 0.37
MAPK11 Q15759 2/20 0.37
RAF1 P04049 1/20 0.37
ALDH1A1 P00352 3/20 0.36
GCGR P47871 2/20 0.36
PKM P14618 1/20 0.36
PRKD3 O94806 1/20 0.36
MAP4K4 O95819 1/20 0.36
FRK P42685 1/20 0.36
CSNK1A1 P48729 1/20 0.36
CSNK1D P48730 1/20 0.36

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
SCHEMBL23416078 0.79 MAPK14 (0.44) KDM4EMAPK14
SCHEMBL158909 0.78 ATM (0.39) SMN1; SMN2POLBNPC1RAB9AMAPK14
SCHEMBL13043220 0.78 NISCH (0.48) SMN1; SMN2POLBNPC1RAB9ANOTUM
SCHEMBL31129201 0.78 METAP2 (0.35) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL4345238 0.76 IDO1 (0.50) NOTUMKDM4EMAP4K4GSK3BCLK4
SCHEMBL22080186 0.74 TP53 (0.44) SMN1; SMN2NOTUMALDH1A1TP53
SCHEMBL23912330 0.74 CYP2A6 (0.35) SMN1; SMN2KDM4EALDH1A1HSD17B10
SCHEMBL10866586 0.74 MAPT (0.44) SMN1; SMN2NPC1RAB9ANOTUMKDM4E
SCHEMBL6055746 0.73 PKM (0.33) SMN1; SMN2NPC1RAB9AKDM4EMAPK14
SCHEMBL6055539 0.73 PKM (0.33) SMN1; SMN2NPC1RAB9AKDM4EMAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023033681-A1 SUBSTITUTED 2-(5-ARYL-4 H-1,2,4-TRIAZOL-3-YL)ETHANAMINES AS MODULATORS OF TRACE AMINE-ASSOCIATED RECEPTOR 1 (TAAR1) LIMITED LIABILITY COMPANY «EXCELLENA RESEARCH AND DEVELOPMENT» (LLC «EXCELLENA») (RU) 2023-03-09 WO claimed
WO-2023033681-A1 SUBSTITUTED 2-(5-ARYL-4 H-1,2,4-TRIAZOL-3-YL)ETHANAMINES AS MODULATORS OF TRACE AMINE-ASSOCIATED RECEPTOR 1 (TAAR1) LIMITED LIABILITY COMPANY «EXCELLENA RESEARCH AND DEVELOPMENT» (LLC «EXCELLENA») (RU) 2023-03-09 WO disclosed
CN-105164121-A Perfluorinated cyclopropyl-fused 1, 3-oxazin-2-amine compounds as beta-secretase inhibitors and methods of use thereof AMGEN INC 2015-12-16 CN disclosed
US-7871982-B2 Lincomycin derivatives and antimicrobial agents comprising the same as active ingredient MEIJI SEIKA KAISHA, LTD. (JP) 2011-01-18 US disclosed
US-7585881-B2 Additional heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2009-09-08 US disclosed
US-20090156512-A1 potent activity against resistant pneumococci MEIJI SEIKA KAISHA, LTD. (JP) 2009-06-18 US disclosed
US-7456200-B2 Compounds ASTRAZENECA AB (SE) 2008-11-25 US disclosed
US-20080045571-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2008-02-21 US disclosed
US-20080015204-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2008-01-17 US disclosed
US-20080015234-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2008-01-17 US disclosed
US-20070293545-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2007-12-20 US disclosed
US-20070179188-A1 Additional heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2007-08-02 US disclosed
US-20060122397-A1 Exhibiting an activity at metabotropic glutamate receptors (mGluRs), especially at the mGluR5 receptor; neurological disorders, psychiatric disorders, acute and chronic pain ASTRAZENECA AB (SE) 2006-06-08 US disclosed
US-20050272779-A1 Additional heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB 2005-12-08 US disclosed
EP-0127847-A1 7-Oxo-4-thia-1-azabicyclo(3.2.0)hept-2-ene derivatives HOECHST UK LIMITED (GB) 1984-12-12 EP 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 (8 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-20080015234-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS GRM5, GRIK5, GRM2 SMN1; SMN2 1409/4885POLB 4535/4885NPC1 554/4885
US-20060122397-A1 Exhibiting an activity at metabotropic glutamate receptors (mGluRs), especially at the mGluR5 receptor; neurological disorders, psychiatric disorders, acute and chronic pain GRM5, GRIK5, GRM1 SMN1; SMN2 906/4885POLB 4605/4885NPC1 1374/4885
US-20070179188-A1 Additional heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM5, GRIK5, GRM2 SMN1; SMN2 1384/4885POLB 4538/4885NPC1 609/4885
US-20050272779-A1 Additional heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM5, GRIK5, GRM2 SMN1; SMN2 1409/4885POLB 4535/4885NPC1 554/4885
US-20090156512-A1 potent activity against resistant pneumococci H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, NAT1, NPM1 SMN1; SMN2 1856/4885POLB 2813/4885NPC1 50/4885
US-20080045571-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS GRM5, GRIK5, GRM2 SMN1; SMN2 1409/4885POLB 4535/4885NPC1 554/4885
US-20070293545-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS GRM5, GRIK5, GRM2 SMN1; SMN2 1409/4885POLB 4535/4885NPC1 554/4885
US-20080015204-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS GRM5, GRIK5, GRM2 SMN1; SMN2 1409/4885POLB 4535/4885NPC1 554/4885

“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.