SCHEMBL4237965

SCHEMBL4237965

Clc1ccc2c(NCCc3ccccn3)nc(-c3ccc(-c4ccccc4)cc3)nc2c1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.62
PDE5A O76074 6/20 0.57
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
HMOX1 P09601 1/20 0.49
HIF1A Q16665 1/20 0.49
KDM4E B2RXH2 3/20 0.49
HPGD P15428 2/20 0.49
ALDH1A1 P00352 1/20 0.49
POLB P06746 1/20 0.48
MAPK1 P28482 2/20 0.47
TLR9 Q9NR96 1/20 0.47
AURKA O14965 1/20 0.47
SLC2A1 P11166 1/20 0.47
JAK2 O60674 1/20 0.47
METAP1 P53582 1/20 0.47
PPP1CA P62136 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL3979250 0.86 GBA1 (0.56) GBA1PDE5AKMT2AMEN1HIF1A
SCHEMBL1064493 0.85 GBA1 (0.82) GBA1PDE5AKMT2AMEN1HIF1A
SCHEMBL3972080 0.81 GBA1 (0.61) GBA1PDE5AKMT2AMEN1HMOX1
SCHEMBL3972860 0.81 CTNNB1 (0.56) GBA1KMT2AKDM4EHPGDALDH1A1
SCHEMBL22201478 0.80 GBA1 (0.77) GBA1PDE5AKMT2AMEN1KDM4E
SCHEMBL16183660 0.79 GBA1 (0.74) GBA1PDE5AKDM4EHPGDALDH1A1
SCHEMBL3979500 0.78 KDM4E (0.77) KMT2AMEN1KDM4EHPGDALDH1A1
SCHEMBL16183925 0.78 PDE5A (0.64) GBA1PDE5AKMT2AMEN1HIF1A
SCHEMBL6671471 0.77 SLC2A1 (0.70) PDE5AKMT2AMEN1HMOX1KDM4E
SCHEMBL13779086 0.77 GBA1 (0.50) GBA1PDE5AKMT2AMEN1HIF1A

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 GBA1 52/4885PDE5A 2783/4885KMT2A 4812/4885

“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.