SCHEMBL3973202

SCHEMBL3973202

CN(C)c1ccc(CNc2nc(-c3ccc(-c4ccccc4)cc3)nc3cc(Cl)ccc23)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 5/20 0.65
KDM1A O60341 2/20 0.63
LMNA P02545 8/20 0.59
CYP1A2 P05177 7/20 0.59
CYP3A4 P08684 7/20 0.59
CYP2D6 P10635 7/20 0.59
CYP2C19 P33261 7/20 0.59
MAPT P10636 6/20 0.59
TP53 P04637 6/20 0.59
HSD17B10 Q99714 6/20 0.59
KDM4E B2RXH2 5/20 0.59
HPGD P15428 5/20 0.59
TSHR P16473 5/20 0.59
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
BLM P54132 4/20 0.59
ALDH1A1 P00352 4/20 0.59
CYP2C9 P11712 4/20 0.59
ALOX15 P16050 4/20 0.59
RECQL P46063 3/20 0.59

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
SCHEMBL28805458 0.87 PDE5A (0.76) PDE5ALMNACYP1A2CYP3A4CYP2D6
SCHEMBL14262792 0.85 KDM1A (0.78) PDE5AKDM1ALMNACYP1A2CYP3A4
SCHEMBL12176196 0.84 PDE5A (0.65) PDE5ALMNACYP1A2CYP3A4CYP2D6
SCHEMBL8615749 0.83 LMNA (0.81) PDE5AKDM1ALMNACYP1A2CYP3A4
SCHEMBL3980498 0.81 PDE5A (0.65) PDE5ALMNACYP1A2CYP3A4CYP2D6
SCHEMBL27899415 0.81 MAPK1 (0.63) PDE5ALMNACYP1A2CYP3A4CYP2D6
SCHEMBL2591972 0.79 PDE5A (1.00) PDE5ALMNACYP1A2CYP3A4CYP2D6
SCHEMBL2583256 0.77 PDE5A (0.90) PDE5ALMNACYP1A2CYP3A4CYP2D6
SCHEMBL6671471 0.77 SLC2A1 (0.70) PDE5ALMNAMAPTTP53HSD17B10
SCHEMBL7280049 0.77 ALDH1A1 (0.80) PDE5AKDM1ALMNACYP1A2CYP3A4

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 2783/4885KDM1A 4644/4885LMNA 732/4885

“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.