SCHEMBL3974463

SCHEMBL3974463

CN1CCC(CN(C)c2nc(-c3ccc(Br)cc3)nc3ccc(Cl)cc23)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 8/20 0.48
HRH4 Q9H3N8 7/20 0.48
POLB P06746 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
ADORA3 P0DMS8 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
ALDH1A1 P00352 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
MCL1 Q07820 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38

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
SCHEMBL3979617 0.89 POLB (0.50) HTR3AHRH4POLBSMN1; SMN2TSHR
SCHEMBL3980771 0.83 EHMT2 (0.51)
SCHEMBL3974461 0.80 HRH4 (0.45) HTR3AHRH4ADORA3TP53HDAC3
SCHEMBL3975155 0.76 POLB (0.46) POLBTSHRMAPK1ADORA3KMT2A
SCHEMBL3974313 0.76 PDE5A (0.60) POLBSMN1; SMN2TSHRMAPK1ADORA3
SCHEMBL3972075 0.76 ADORA3 (0.52) POLBSMN1; SMN2MAPK1ADORA3KMT2A
SCHEMBL3977126 0.75 GBA1 (0.49) HTR3AHRH4POLBSMN1; SMN2TSHR
SCHEMBL3974466 0.71 SRC (0.37) HTR3AHRH4MAPK1ADORA3HTT
SCHEMBL27599043 0.70 NPC1 (0.45) HTR3AHRH4MAPK1ADORA3HTT
SCHEMBL3980780 0.69 TP53 (0.55) HTTALDH1A1KDM4ELMNAMAPT

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 6 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
CN-1474815-A 4-amino-quinazolines Ĭ��ר���ɷ����޹�˾ 2004-02-11 CN 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 HTR3A 640/4885HRH4 1746/4885POLB 4723/4885

“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.