SCHEMBL3976155

SCHEMBL3976155

CCN1CCCC1CNc1nc(-c2ccc(Br)cc2)nc2ccc(Cl)cc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.52
ALDH1A1 P00352 4/20 0.52
HSD17B10 Q99714 4/20 0.52
LMNA P02545 2/20 0.52
TSHR P16473 2/20 0.45
HTR3A P46098 1/20 0.44
HRH4 Q9H3N8 1/20 0.44
ATM Q13315 1/20 0.43
HPGD P15428 3/20 0.42
CYP3A4 P08684 1/20 0.42
ACHE P22303 1/20 0.42
CAMK2D Q13557 1/20 0.42
MAP3K8 P41279 2/20 0.41
DRD2 P14416 2/20 0.41
MALT1 Q9UDY8 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
POLB P06746 2/20 0.41
MAPT P10636 2/20 0.41
MAPK1 P28482 2/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL3971152 0.90 KDM4E (0.45) KDM4EALDH1A1HSD17B10LMNATSHR
SCHEMBL3974946 0.84 DRD2 (0.49) KDM4EALDH1A1ATMDRD2MAPT
SCHEMBL3975341 0.82 CAMK2D (0.61) LMNATSHRHTR3AHRH4CAMK2D
SCHEMBL3977122 0.80 HTR3A (0.58) HTR3AHRH4MAPTMAPK1MEN1
SCHEMBL3975320 0.77 SLC2A1 (0.49) KDM4EALDH1A1HSD17B10LMNATSHR
SCHEMBL22201647 0.77 HPGD (0.54) KDM4EALDH1A1HSD17B10LMNATSHR
SCHEMBL3974635 0.74 ACP1 (0.58) LMNAADORA3POLBMAPTMAPK1
SCHEMBL3980578 0.72 MAPK1 (0.58) TSHRHTR3AHRH4MAPTMAPK1
SCHEMBL3980413 0.72 SLC2A1 (0.62) KDM4EHSD17B10LMNAPOLBMEN1
SCHEMBL3971156 0.71 POLB (0.60) ALDH1A1POLBMAPK1

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 KDM4E 4808/4885ALDH1A1 1459/4885HSD17B10 2643/4885

“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.