SCHEMBL4508533

SCHEMBL4508533

CC(C)c1nc2ccccc2c(=O)n1NC(=O)C(C)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 2/20 0.48
KMT2A Q03164 3/20 0.43
CXCR3 P49682 5/20 0.42
PTGER4 P35408 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MEN1 O00255 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
TNKS O95271 1/20 0.40
WNT3A P56704 1/20 0.40
TNKS2 Q9H2K2 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
SCHEMBL30794992 1.00 GPR139 (0.48) GPR139KMT2ACXCR3PTGER4CYP1A2
SCHEMBL4505233 0.89 PTGES (0.41) GPR139CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL30796404 0.89 PTGES (0.41) GPR139CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4517859 0.89 KMT2A (0.46) GPR139KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL4519447 0.89 KMT2A (0.46) GPR139KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL4526768 0.89 KMT2A (0.46) GPR139KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL30795242 0.89 KMT2A (0.46) GPR139KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL30824681 0.89 KMT2A (0.46) GPR139KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL4503557 0.88 GPR139 (0.45) GPR139KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL30795026 0.88 GPR139 (0.45) GPR139KMT2ACYP1A2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090291973-A1 Novel Quinazoline Derivatives and Their Medical Use NEUROSEARCH A/S (DK) 2009-11-26 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
US-20090291973-A1 Novel Quinazoline Derivatives and Their Medical Use NEUROSEARCH A/S (DK) 2009-11-26 US disclosed
EP-1951685-A1 NOVEL QUINAZOLINE DERIVATIVES AND THEIR MEDICAL USE NeuroSearch A/S (DK) 2008-08-06 EP disclosed
WO-2007057447-A1 NOVEL QUINAZOLINE DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2007-05-24 WO 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-20090291973-A1 Novel Quinazoline Derivatives and Their Medical Use KCNA7, KCNN3, KCNQ5 GPR139 1959/4885KMT2A 1926/4885CXCR3 815/4885

“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.