SCHEMBL280264

SCHEMBL280264

Cc1ccc(C(=O)NN)nn1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 6/20 0.59
ALDH1A1 P00352 5/20 0.44
GAA P10253 5/20 0.44
MAPT P10636 4/20 0.44
KDM4E B2RXH2 4/20 0.41
KMT2A Q03164 1/20 0.41
CYP3A4 P08684 3/20 0.40
CYP1A2 P05177 2/20 0.40
POLB P06746 1/20 0.40
MPO P05164 2/20 0.39
ADORA3 P0DMS8 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2A6 P11509 1/20 0.39
CYP2C19 P33261 1/20 0.39
KDM5A P29375 1/20 0.36
BLM P54132 1/20 0.36
GFER P55789 1/20 0.36
PMP22 Q01453 1/20 0.36
HIF1A Q16665 1/20 0.36
NNMT P40261 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
SCHEMBL30252481 1.00 P2RX7 (0.59) P2RX7ALDH1A1GAAMAPTKDM4E
SCHEMBL14094489 0.82 BAZ2B (0.43) P2RX7GAAPOLB
SCHEMBL14094492 0.81 GABRA1 (0.46) P2RX7ALDH1A1GAAKDM4ECYP1A2
SCHEMBL31589339 0.77 NNMT (0.65) P2RX7ALDH1A1GAAMAPTKDM4E
SCHEMBL18896184 0.77 GABRA1 (0.46) ALDH1A1MAPTKDM4E
SCHEMBL16454215 0.77 GABRA1 (0.46) P2RX7ALDH1A1GAAMAPTKDM4E
SCHEMBL2469953 0.77 NNMT (0.59) P2RX7KMT2APOLBADORA3NNMT
SCHEMBL17298866 0.77 CNR2 (0.40) P2RX7
SCHEMBL8600253 0.76 P2RX7 (0.52) P2RX7ALDH1A1GAAMAPTKDM4E
SCHEMBL31306809 0.76 P2RX7 (0.52) P2RX7ALDH1A1GAAMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4126869-B1 BENZODIAZEPINE DERIVATIVES AS GABA A GAMMA1 PAMS HOFFMANN LA ROCHE (CH) 2024-06-05 EP disclosed
US-20240002393-A1 SUBSTITUTED BENZO[f][l ,2,4JTRIAZOL0[4,3-a][l ,4JDIAZEPINES AS GABA A GAMMA! POSITIVE ALLOSTERIC MODULATORS HOFFMANN-LA ROCHE INC. (US) 2024-01-04 US disclosed
US-11739095-B2 Substituted benzo[f][1,2,4]triazolo[4,3-a][1,4]diazepines as GABA A GAMMA1 positive allosteric modulators HOFFMANN-LA ROCHE INC. (US) 2023-08-29 US disclosed
EP-4126869-A1 BENZODIAZEPINE DERIVATIVES AS GABA A GAMMA1 PAMS F. Hoffmann-La Roche AG (CH) 2023-02-08 EP disclosed
CN-115380034-A Benzodiazepine derivatives as GABA a γ 1 PAM 豪夫迈·罗氏有限公司 2022-11-22 CN disclosed
US-20210309664-A1 BENZODIAZEPINE DERIVATIVES AS GABA A GAMMA1 PAM HOFFMANN-LA ROCHE INC. (US) 2021-10-07 US disclosed
WO-2021198124-A1 BENZODIAZEPINE DERIVATIVES AS GABA A GAMMA1 PAMS F. HOFFMANN-LA ROCHE AG (CH) 2021-10-07 WO disclosed
US-8134013-B2 Amide compound and thrombopoietin receptor activator NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-03-13 US disclosed
US-8134013-B2 Amide compound and thrombopoietin receptor activator NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-03-13 US disclosed
US-20090131659-A1 AMIDE COMPOUND AND THROMBOPOIETIN RECEPTOR ACTIVATOR NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2009-05-21 US disclosed
US-20090131659-A1 AMIDE COMPOUND AND THROMBOPOIETIN RECEPTOR ACTIVATOR NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2009-05-21 US disclosed
EP-1845090-A1 AMIDE COMPOUND AND THROMBOPOIETIN RECEPTOR ACTIVATOR Nissan Chemical Industries, Ltd. (JP) 2007-10-17 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 (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-20210309664-A1 BENZODIAZEPINE DERIVATIVES AS GABA A GAMMA1 PAM GABRA1, GABRB1, GABRG1 P2RX7 334/4885ALDH1A1 522/4885GAA 1478/4885
US-20090131659-A1 AMIDE COMPOUND AND THROMBOPOIETIN RECEPTOR ACTIVATOR TEK, PTAFR, MPL P2RX7 744/4885ALDH1A1 2047/4885GAA 2220/4885
US-11739095-B2 Substituted benzo[f][1,2,4]triazolo[4,3-a][1,4]diazepines as GABA A GAMMA1 positive allosteric modulators GABRA1, GABRB1, GABRG1 P2RX7 471/4885ALDH1A1 825/4885GAA 2696/4885
US-20240002393-A1 SUBSTITUTED BENZO[f][l ,2,4JTRIAZOL0[4,3-a][l ,4JDIAZEPINES AS GABA A GAMMA! POSITIVE ALLOSTERIC MODULATORS GABRA4, GABRB1, GABRB3 P2RX7 514/4885ALDH1A1 847/4885GAA 2444/4885

“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.