SCHEMBL6068564

SCHEMBL6068564

c1ccc2c(c1)cnc1cnnn12

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.33
RECQL P46063 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP1A2 P05177 2/20 0.31
KDM4E B2RXH2 1/20 0.31
GPR3 P46089 1/20 0.31
CYP2A6 P11509 1/20 0.31
PDPK1 O15530 1/20 0.31
POLB P06746 1/20 0.31
MAPK1 P28482 1/20 0.31
ATM Q13315 1/20 0.31
KMO O15229 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
PBRM1 Q86U86 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL30967332 0.78 MAPT (0.38)
SCHEMBL22283892 0.73 DYRK1A (0.39) ADORA3RECQLCYP1A2KMO
SCHEMBL29792823 0.73 DYRK1A (0.39) ADORA3RECQLCYP1A2KMO
SCHEMBL515578 0.71 CA12 (0.34) RECQLMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL21268466 0.69 SLC9A1 (0.42) ADORA3KMT2ACYP1A2KDM4EPOLB
SCHEMBL29354440 0.68 SMN1; SMN2 (0.39) ADORA3RECQLKMT2ACYP1A2KDM4E
SCHEMBL4510784 0.68 SMN1; SMN2 (0.39) ADORA3RECQLKMT2ACYP1A2KDM4E
SCHEMBL5656535 0.68 KMT2A (0.44) MEN1KMT2AKDM4EPOLBMAPK1
SCHEMBL29881244 0.67 NPSR1 (0.47) ADORA3MEN1KMT2AKDM4EPOLB
SCHEMBL10666827 0.66 KDM4E (0.40) RECQLMEN1KMT2AKDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0745154-B1 MULTICOMPONENT SYSTEM FOR MODIFYING, DECOMPOSING OR BLEACHING LIGNIN, LIGNIN-CONTAINING MATERIALS OR SIMILAR SUBSTANCES AND METHOD OF USING THIS SYSTEM LIGNOZYM GMBH (DE) 1998-09-16 EP claimed
EP-0085840-B1 NEW 6-SUBSTITUTED-S-TRIAZOLO(3,4-A)PHTHALAZINE DERIVATIVES GRUPPO LEPETIT S.P.A. (IT) 1986-10-01 EP claimed
EP-0085840-A1 New 6-substituted-s-triazolo(3,4-a)phthalazine derivatives GRUPPO LEPETIT S.P.A. (IT) 1983-08-17 EP claimed
EP-3153498-B1 N-SUBSTITUTED PHENYL GLYCINE PREPARATION METHOD ABA CHEMICALS CORP (CN) 2019-08-21 EP disclosed
EP-2396333-B1 TRIAZOLO[4,3-B]PYRIDAZINE DERIVATIVES AND THEIR USES FOR PROSTATE CANCER ASTRAZENECA AB (SE) 2013-07-03 EP disclosed
US-7144887-B2 Substituted 1,2,3-triazolo[1,5-a]quinazolines for enhancing cognition MERCK SHARP & DOHME LTD. (GB) 2006-12-05 US disclosed
US-7144887-B2 Substituted 1,2,3-triazolo[1,5-a]quinazolines for enhancing cognition MERCK SHARP & DOHME LTD. (GB) 2006-12-05 US disclosed
US-20030125333-A1 Substituted 1,2,3-triazolo[1,5-a]quinazolines for enhancing cognition MERCK SHARP & DOHME LTD. (GB) 2003-07-03 US disclosed
US-6310203-B1 Precursor compounds to substituted 1,2,4-triazolo[3,4,-a]phathalazine GABA alpha 5 ligands MERCK SHARPE & DOHME LIMITED (GB) 2001-10-30 US disclosed
WO-2001044250-A1 SUBSTITUTED 1,2,3-TRIAZOLO[1,5-a]QUINAZOLINES FOR ENHANCING COGNITION MERCK SHARP & DOHME LIMITED (GB) 2001-06-21 WO disclosed
EP-0845026-A1 MULTICOMPONENT SYSTEM FOR USE WITH DETERGENT SUBSTANCES CALL, Hans-Peter Dr. (DE) 1998-06-03 EP disclosed
WO-1997048786-A1 MULTICOMPONENT SYSTEM FOR USE WITH DETERGENT SUBSTANCES CALL HANS PETER (DE) 1997-12-24 WO disclosed
US-5084007-A Method for chemical promotion of the effects of low current transcranial electrostimulation MALIN DAVID H (US) 1992-01-28 US disclosed
US-4788186-A ANXIOLYTIC AGENTS GRUPPO LEPETIT S.P.A. (IT) 1988-11-29 US disclosed
US-4783461-A ANXIOLYTIC AGENTS GRUPPO LEPETIT S.P.A. (IT) 1988-11-08 US disclosed
EP-0134946-B1 3,6-Disubstituted-triazolo[3,4-a]phthalazine derivatives GRUPPO LEPETIT S.p.A. (IT) 1987-08-12 EP disclosed
EP-0085840-B1 NEW 6-SUBSTITUTED-S-TRIAZOLO(3,4-A)PHTHALAZINE DERIVATIVES GRUPPO LEPETIT S.P.A. (IT) 1986-10-01 EP disclosed
EP-0134946-A1 3,6-Disubstituted-triazolo[3,4-a]phthalazine derivatives GRUPPO LEPETIT S.p.A. (IT) 1985-03-27 EP disclosed
EP-0085840-A1 New 6-substituted-s-triazolo(3,4-a)phthalazine derivatives GRUPPO LEPETIT S.P.A. (IT) 1983-08-17 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 (1 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-20030125333-A1 Substituted 1,2,3-triazolo[1,5-a]quinazolines for enhancing cognition HAX1, HTR1D, CHRM1 ADORA3 120/4885RECQL 211/4885MEN1 2231/4885

“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.