SCHEMBL2749758

SCHEMBL2749758

CCN(CC)c1nc2cc(N)ccc2c(=O)n1NC(=O)Cc1cc(F)cc(F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.39
ALDH1A1 P00352 6/20 0.38
LMNA P02545 2/20 0.38
HTT P42858 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
TNF P01375 1/20 0.35
RAB9A P51151 1/20 0.35
EGFR P00533 1/20 0.33
MPO P05164 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KDM4E B2RXH2 2/20 0.32
HPGD P15428 1/20 0.32
KCNQ3 O43525 1/20 0.32
KCNQ2 O43526 1/20 0.32

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
SCHEMBL30795791 1.00 CYP3A4 (0.39) CYP3A4ALDH1A1LMNAHTTMEN1
SCHEMBL2750503 0.92 ALDH1A1 (0.40) ALDH1A1LMNAHTTMEN1KMT2A
SCHEMBL30794740 0.91 ALDH1A1 (0.39) CYP3A4ALDH1A1LMNAHTTMEN1
SCHEMBL2749696 0.91 ALDH1A1 (0.39) CYP3A4ALDH1A1LMNAHTTMEN1
SCHEMBL30794490 0.89 ALDH1A1 (0.46) CYP3A4ALDH1A1LMNAHTTMEN1
SCHEMBL2751560 0.89 ALDH1A1 (0.46) CYP3A4ALDH1A1LMNAHTTMEN1
SCHEMBL2751205 0.87 ALDH1A1 (0.50) CYP3A4ALDH1A1LMNAHTTMEN1
SCHEMBL30796035 0.87 ALDH1A1 (0.50) CYP3A4ALDH1A1LMNAHTTMEN1
SCHEMBL2750762 0.87 KDM1A (0.38) ALDH1A1LMNAHTTMEN1KMT2A
SCHEMBL30795050 0.87 KDM1A (0.38) ALDH1A1LMNAHTTMEN1KMT2A

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 9 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-2024054811-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS 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 CYP3A4 2860/4885ALDH1A1 1660/4885LMNA 3060/4885

“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.