SCHEMBL3971157

SCHEMBL3971157

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

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 2/20 0.35
ACP1 P24666 1/20 0.34
KCNH2 Q12809 2/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 3/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
PRKCI P41743 2/20 0.33
LATS1 O95835 3/20 0.32
LATS2 Q9NRM7 3/20 0.32
ABCG2 Q9UNQ0 1/20 0.32
SOS1 Q07889 1/20 0.32
MC4R P32245 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
SCHEMBL3976162 0.90 SRC (0.41) PDE5AALDH1A1MAPTKDM4E
SCHEMBL3974952 0.85 WHR1 (0.42) ALDH1A1MAPTKDM4EABCG2SOS1
SCHEMBL3974310 0.72 GBA1 (0.51) PDE5AKCNH2
SCHEMBL7441662 0.70 HTR3A (0.33) MAPTSOS1
SCHEMBL3975234 0.69 ACP1 (0.60) PDE5AACP1ALDH1A1TP53MAPT
SCHEMBL3971152 0.69 KDM4E (0.45) PDE5AALDH1A1MAPTKDM4E
SCHEMBL3971090 0.68 CCR4 (0.62)
SCHEMBL3973138 0.67 CAMK2D (0.49) PDE5AACP1ALDH1A1MAPTKDM4E
SCHEMBL27599066 0.67 PDE5A (0.41) PDE5AACP1TP53MAPTLATS1
SCHEMBL3981851 0.67 PDE5A (0.70) PDE5AALDH1A1MAPTKDM4E

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 PDE5A 2783/4885ACP1 4097/4885KCNH2 719/4885

“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.