SCHEMBL3972860

SCHEMBL3972860

Clc1ccc2c(NCCc3ccccn3)nc(NCCc3ccccc3)nc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 2/20 0.56
TCF7L2 Q9NQB0 2/20 0.56
APP P05067 7/20 0.54
ACHE P22303 7/20 0.54
BCHE P06276 5/20 0.54
MRGPRX1 Q96LB2 1/20 0.53
CCNC P24863 1/20 0.50
CDK8 P49336 1/20 0.50
JAK2 O60674 1/20 0.49
METAP1 P53582 1/20 0.49
PPP1CA P62136 1/20 0.49
KMT2A Q03164 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
CYP3A4 P08684 2/20 0.47
GBA1 P04062 1/20 0.47
GRK6 P43250 1/20 0.46

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
SCHEMBL4237965 0.81 GBA1 (0.62) JAK2METAP1PPP1CAKMT2ATDP1
SCHEMBL3975987 0.80 MAPT (0.54) CTNNB1TCF7L2KMT2AKDM4EALDH1A1
SCHEMBL3979500 0.78 KDM4E (0.77) KMT2AKDM4EALDH1A1HPGD
SCHEMBL2587220 0.76 RAD52 (0.70) APPACHEBCHEKMT2AKDM4E
SCHEMBL8975149 0.74 HTT (0.71) APPCCNCCDK8KDM4EALDH1A1
SCHEMBL17799807 0.74 APP (0.68) APPJAK2METAP1PPP1CAKMT2A
SCHEMBL21055811 0.74 APP (0.57) APPACHEBCHEMRGPRX1CCNC
SCHEMBL13406340 0.72 CYP1A2 (0.57) APPTDP1KDM4EALDH1A1
SCHEMBL7503073 0.72 CCNC (0.81) CCNCCDK8KMT2AKDM4EALDH1A1
SCHEMBL3979250 0.72 GBA1 (0.56) CCNCCDK8JAK2METAP1PPP1CA

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 CTNNB1 1136/4885TCF7L2 1840/4885APP 2279/4885

“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.