SCHEMBL109491

SCHEMBL109491

NNC(=O)c1cccnn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 6/20 1.00
AHR P35869 1/20 0.53
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
GOT1 P17174 1/20 0.45
MAPT P10636 2/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
CES1 P23141 1/20 0.44
CYP1A2 P05177 3/20 0.44
CYP3A4 P08684 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MPO P05164 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2A6 P11509 1/20 0.44
CYP2C19 P33261 1/20 0.44
FAAH O00519 1/20 0.41
SNCA P37840 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.40

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
SCHEMBL1412900 0.82 P2RX7 (0.69) P2RX7AHRKMT2AMEN1GOT1
SCHEMBL1403853 0.80 P2RX7 (0.67) P2RX7AHRKMT2AMEN1CES1
SCHEMBL22290176 0.79 P2RX7 (0.66) P2RX7AHRKMT2AMEN1GAA
SCHEMBL30674042 0.79 P2RX7 (0.65) P2RX7AHRKMT2AMEN1CES1
SCHEMBL4040893 0.78 P2RX7 (0.65) P2RX7AHRKMT2AMEN1GOT1
SCHEMBL21585657 0.78 P2RX7 (0.64) P2RX7AHRKMT2AMEN1GOT1
SCHEMBL1219748 0.78 P2RX7 (0.64) P2RX7AHRKMT2AMEN1MAPT
Hydrochloric Acid SCHEMBL28798673 0.77 P2RX7 (0.62) P2RX7AHRKMT2AMEN1GOT1
SCHEMBL29374491 0.77
SCHEMBL667511 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107406412-A TGF beta inhibitors 里格尔药品股份有限公司 2017-11-28 CN claimed
EP-4559908-A1 HETEROARYL DERIVATIVE COMPOUND AND USE THEREOF S2CBio Inc. (KR) 2025-05-28 EP disclosed
EP-4426705-A1 CYCLOHEPTA-THIENO-DIAZEPINE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS OF THE GABA A GAMMA1 RECEPTOR F. Hoffmann-La Roche AG (CH) 2024-09-11 EP disclosed
US-20240294543-A1 CYCLOHEPTA-THIENO-DIAZEPINE DERIVATIVES AS GABA A GAMMA1 PAM HOFFMANN-LA ROCHE INC. (US) 2024-09-05 US disclosed
US-20240190889-A1 NEW CYCLOPENTA-THIENO-DIAZEPINE DERIVATIVES AS GABA A GAMMA1 POSITIVE ALLOSTERIC MODULATORS HOFFMANN-LA ROCHE INC. (US) 2024-06-13 US disclosed
EP-4380940-A1 NEW CYCLOPENTA-THIENO-DIAZEPINE DERIVATIVES AS GABA A GAMMA1 PAM F. Hoffmann-La Roche AG (CH) 2024-06-12 EP disclosed
EP-4126869-B1 BENZODIAZEPINE DERIVATIVES AS GABA A GAMMA1 PAMS HOFFMANN LA ROCHE (CH) 2024-06-05 EP disclosed
CN-118019745-A Cyclohepta-thieno-diazapine derivatives as positive allosteric modulators of the GABAA gamma 1 receptor 豪夫迈·罗氏有限公司 2024-05-10 CN disclosed
CN-117881684-A Novel cyclopenta-thieno-diazepine derivatives as GABAA gamma 1 PAM 豪夫迈·罗氏有限公司 2024-04-12 CN disclosed
EP-4139310-B1 BENZODIAZEPINE DERIVATIVES AS GABA A GAMMA1 PAM HOFFMANN LA ROCHE (CH) 2024-03-27 EP disclosed
WO-2010125102-A1 5,6,7,8-TETRAHYDRO[1,2,4]TRIAZOLO[4,3-a]PYRAZINE DERIVATIVES AS P2X7 MODULATORS GLAXO GROUP LIMITED (GB) 2010-11-04 WO disclosed
WO-2010125102-A1 5,6,7,8-TETRAHYDRO[1,2,4]TRIAZOLO[4,3-a]PYRAZINE DERIVATIVES AS P2X7 MODULATORS GLAXO GROUP LIMITED (GB) 2010-11-04 WO disclosed
EP-2170337-A1 NOVEL TRIAZOLOPYRIDAZINES Abbott Laboratories (US) 2010-04-07 EP disclosed
US-20090270402-A1 Novel triazolopyridazines ABBVIE INC. 2009-10-29 US disclosed
WO-2009005675-A1 NOVEL TRIAZOLOPYRIDAZINES ABBOTT LABORATORIES (US) 2009-01-08 WO disclosed
EP-1689406-A4 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC (US) 2007-01-17 EP disclosed
EP-1689406-A2 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2006-08-16 EP disclosed
WO-2005051906-A2 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2005-06-09 WO disclosed
CN-1114598-C Aromatic compounds and pharmaceutical compositions containing them ZENECA LTD (GB) 2003-07-16 CN disclosed
CN-1229408-A Dihydroindole derivatives useful as 5-HT-2C receptor antagonists SMITHKLINE BEECHAM PLC (GB) 1999-09-22 CN 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 (3 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-20240294543-A1 CYCLOHEPTA-THIENO-DIAZEPINE DERIVATIVES AS GABA A GAMMA1 PAM GABRA1, GRIN1, GABRA5 P2RX7 505/4885AHR 1035/4885KMT2A 1507/4885
US-20090270402-A1 Novel triazolopyridazines MAP3K5, MAP3K1, MAP3K2 P2RX7 704/4885AHR 1915/4885KMT2A 2466/4885
US-20240190889-A1 NEW CYCLOPENTA-THIENO-DIAZEPINE DERIVATIVES AS GABA A GAMMA1 POSITIVE ALLOSTERIC MODULATORS GABRA1, GABRA5, GABRB1 P2RX7 301/4885AHR 2589/4885KMT2A 2860/4885

“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.