SCHEMBL4845448

SCHEMBL4845448

N#Cc1cccc(CNc2[c]cccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 5/20 0.47
KDM1A O60341 1/20 0.45
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
ACP1 P24666 1/20 0.42
CYP1A2 P05177 4/20 0.42
CYP2C19 P33261 4/20 0.42
CLK4 Q9HAZ1 3/20 0.42
HSD17B10 Q99714 3/20 0.42
USP2 O75604 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPK1 P28482 2/20 0.42
NOS1 P29475 2/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
CYP3A4 P08684 3/20 0.41
CYP2D6 P10635 3/20 0.41
LMNA P02545 2/20 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
SCHEMBL5846724 0.78 MAOB (0.46) MAOAMAOBCYP3A4
SCHEMBL693665 0.77 HSD17B10 (0.47) HSD17B10CYP3A4TSHRMEN1KMT2A
SCHEMBL8063033 0.77 APP (0.48) LMNAMEN1KMT2A
SCHEMBL7092633 0.77 ALDH1A1 (0.33) HSD17B10ALDH1A1LMNAMEN1KMT2A
SCHEMBL24427767 0.75 SCN8A (0.53) VNN1KDM1AMAOAMAOBACP1
SCHEMBL5215530 0.75 NOS1 (0.39) NOS1TSHRHIF1A
SCHEMBL6691560 0.74 NOS1 (0.58) VNN1KDM1AMAOAMAOBCYP1A2
SCHEMBL28101500 0.73 FFAR1 (0.51) ALDH1A1MEN1KMT2AKDM4E
SCHEMBL320058 0.72 LOXL2 (0.59) VNN1KDM1AMAOAMAOBNOS1
SCHEMBL30471916 0.72 LOXL2 (0.59) VNN1KDM1AMAOAMAOBNOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6903096-B2 Quinazoline derivatives as medicaments SCIOS, INC. (US) 2005-06-07 US claimed
US-7345045-B2 Pyrido-pyrimidine compounds as medicaments SCIOS, INC. (US) 2008-03-18 US disclosed
EP-1107959-B1 QUINAZOLINE DERIVATIVES AS MEDICAMENTS SCIOS INC (US) 2006-10-11 EP disclosed
US-20050220784-A1 Quinazoline derivatives as medicaments SCIOS, INC. (US) 2005-10-06 US disclosed
US-20050171123-A1 Quinazoline derivatives as medicaments SCIOS, INC. 2005-08-04 US disclosed
US-6903096-B2 Quinazoline derivatives as medicaments SCIOS, INC. (US) 2005-06-07 US disclosed
US-6476031-B1 Quinazoline derivatives as medicaments SCIOS, INC. 2002-11-05 US disclosed
US-6277989-B1 USEFUL IN TREATING CONDITIONS THAT ARE CHARACTERIZED BY ENHANCED P38 KINASE ACTIVITY AND/OR TRANSFORMING GROWTH FACTOR BETA (TGF-.BETA.) ACTIVITY SUCH AS INFLAMMATION, PROLIFERATIVE DISEASES, AND CERTAIN CARDIOVASCULAR DISORDERS SCIOS, INC. 2001-08-21 US 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 (2 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-20050171123-A1 Quinazoline derivatives as medicaments TGFBR2, SMAD2, ADRB2 VNN1 4077/4885KDM1A 2806/4885MAOA 1995/4885
US-20050220784-A1 Quinazoline derivatives as medicaments TGFBR2, SMAD2, ADRB2 VNN1 4077/4885KDM1A 2806/4885MAOA 1995/4885

“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.