SCHEMBL3971152

SCHEMBL3971152

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

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.45
ALDH1A1 P00352 4/20 0.45
HSD17B10 Q99714 4/20 0.45
HPGD P15428 3/20 0.45
TSHR P16473 2/20 0.45
CYP3A4 P08684 1/20 0.45
ATM Q13315 1/20 0.44
ACHE P22303 1/20 0.42
DRD2 P14416 2/20 0.42
LMNA P02545 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
POLB P06746 1/20 0.41
PIM1 P11309 2/20 0.40
MCHR1 Q99705 2/20 0.40
HTR2C P28335 1/20 0.40
PDE5A O76074 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL3976155 0.90 KDM4E (0.52) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL3974946 0.85 DRD2 (0.49) KDM4EALDH1A1ATMDRD2MAPT
SCHEMBL3973138 0.82 CAMK2D (0.49) KDM4EALDH1A1HSD17B10LMNAPOLB
SCHEMBL3974310 0.81 GBA1 (0.51) POLBPDE5A
SCHEMBL22201647 0.77 HPGD (0.54) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL3975321 0.77 SLC2A1 (0.49) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL3975234 0.74 ACP1 (0.60) ALDH1A1HSD17B10POLBPDE5AMAPT
SCHEMBL3981851 0.71 PDE5A (0.70) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL3979247 0.71 ALDH1A1 (0.54) KDM4EALDH1A1HSD17B10TSHRACHE
SCHEMBL3975341 0.71 CAMK2D (0.61) TSHRLMNAPOLBMAPT

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 5 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
EP-1318984-A1 4-AMINO-QUINAZOLINES MERCK PATENT GmbH (DE) 2003-06-18 EP disclosed
WO-2002024667-A1 4-AMINO-QUINAZOLINES MERCK PATENT GMBH (DE) 2002-03-28 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.