SCHEMBL2750232

SCHEMBL2750232

CN(C)c1nc2ccccc2c(=O)n1NC(=O)Cc1cc(F)cc(F)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
ALDH1A1 P00352 5/20 0.49
HTT P42858 4/20 0.49
LMNA P02545 3/20 0.49
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
RXFP1 Q9HBX9 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
GALR3 O60755 1/20 0.43
GAA P10253 2/20 0.43
USP2 O75604 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
EGFR P00533 1/20 0.42

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
SCHEMBL30796323 1.00 RAB9A (0.50) RAB9ANPSR1ALDH1A1HTTLMNA
SCHEMBL2750846 0.91 ALDH1A1 (0.49) RAB9ANPSR1ALDH1A1HTTLMNA
SCHEMBL30794504 0.91 ALDH1A1 (0.49) RAB9ANPSR1ALDH1A1HTTLMNA
SCHEMBL2749879 0.90 NPSR1 (0.49) RAB9ANPSR1ALDH1A1HTTLMNA
SCHEMBL30794769 0.90 NPSR1 (0.49) RAB9ANPSR1ALDH1A1HTTLMNA
SCHEMBL2750288 0.90 NPSR1 (0.47) RAB9ANPSR1ALDH1A1HTTLMNA
SCHEMBL30796035 0.90 ALDH1A1 (0.50) RAB9ANPSR1ALDH1A1HTTLMNA
SCHEMBL2751205 0.90 ALDH1A1 (0.50) RAB9ANPSR1ALDH1A1HTTLMNA
SCHEMBL2748731 0.89 ALDH1A1 (0.41) RAB9ANPSR1ALDH1A1HTTLMNA
SCHEMBL2749311 0.89 RAB9A (0.39) RAB9ANPSR1ALDH1A1HTTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2465504-A1 Novel 2,3-diamino-quinazolinone derivatives and their medical use NeuroSearch A/S (DK) 2012-06-20 EP claimed
US-8178544-B2 2, 3-diamino-quinazolinone derivatives and their medical use NEUROSEARCH A/S (DK) 2012-05-15 US claimed
US-20100160315-A1 NOVEL 2, 3-DIAMINO-QUINAZOLINONE DERIVATIVES AND THEIR MEDICAL USE NEURO SEARCH A/S (DK) 2010-06-24 US claimed
WO-2024054807-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND TDP-43 MODULATORS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-14 WO disclosed
WO-2024050389-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND NMDA RECEPTOR ANTAGONISTS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-07 WO disclosed
EP-2465504-A1 Novel 2,3-diamino-quinazolinone derivatives and their medical use NeuroSearch A/S (DK) 2012-06-20 EP disclosed
US-8178544-B2 2, 3-diamino-quinazolinone derivatives and their medical use NEUROSEARCH A/S (DK) 2012-05-15 US disclosed
US-20100160315-A1 NOVEL 2, 3-DIAMINO-QUINAZOLINONE DERIVATIVES AND THEIR MEDICAL USE NEURO SEARCH A/S (DK) 2010-06-24 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 (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-20100160315-A1 NOVEL 2, 3-DIAMINO-QUINAZOLINONE DERIVATIVES AND THEIR MEDICAL USE KCNJ2, KCNN3, KCNK17 RAB9A 1185/4885NPSR1 876/4885ALDH1A1 1660/4885

“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.