SCHEMBL3976162

SCHEMBL3976162

CCC(Nc1nc(-c2ccc(Br)cc2)nc2ccc(Cl)cc12)C1CCCN1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.41
CCNA2 P20248 2/20 0.41
CDK2 P24941 2/20 0.41
GSK3B P49841 1/20 0.41
HTR3A P46098 2/20 0.39
ADORA3 P0DMS8 1/20 0.38
MEN1 O00255 2/20 0.37
MAPT P10636 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPK1 P28482 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 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
SCHEMBL3971157 0.90 PDE5A (0.35) MAPTKDM4EALDH1A1PDE5A
SCHEMBL3974952 0.84 WHR1 (0.42) MAPTNPSR1KDM4EALDH1A1
SCHEMBL7441662 0.72 HTR3A (0.33) CCNA2CDK2HTR3AMAPTMAPK1
SCHEMBL3977122 0.71 HTR3A (0.58) SRCCCNA2CDK2GSK3BHTR3A
SCHEMBL8835204 0.69 NR4A2 (0.55) MEN1KMT2ACYP1A2CYP2D6CYP2C19
SCHEMBL3974635 0.69 ACP1 (0.58) ADORA3MEN1MAPTKMT2AMAPK1
SCHEMBL3976155 0.69 KDM4E (0.52) HTR3AADORA3MEN1MAPTKMT2A
SCHEMBL3974794 0.69 CCR4 (0.61) MEN1MAPTKMT2AMAPK1CYP1A2
SCHEMBL3975341 0.68 CAMK2D (0.61) HTR3AMEN1MAPTKMT2AMAPK1
SCHEMBL27599077 0.67 MEN1 (0.43) HTR3AADORA3MEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7547702-B2 4-amino-quinazolines ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2009-06-16 US disclosed
US-20060019974-A1 Glycoprotein antagonist; anticholesterol agents; cardiovascular disorders; strokes; antiischemic agents ORTHO-MCNEIL PHARMACEUTICALS, INC. 2006-01-26 US disclosed
WO-2004030672-A1 USE OF 4 AMINO-QUINAZOLINES AS ANTI CANCER AGENTS MERCK PATENT GMBH (DE) 2004-04-15 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-20060019974-A1 Glycoprotein antagonist; anticholesterol agents; cardiovascular disorders; strokes; antiischemic agents SERPINA3, APOL1, MGAT3 SRC 4243/4885CCNA2 1782/4885CDK2 1335/4885

“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.