SCHEMBL3981971

SCHEMBL3981971

Clc1ccc2c(NCCN3CCNCC3)nc(-c3ccc(-c4ccccc4)cc3)nc2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 6/20 0.63
TSHR P16473 6/20 0.63
MEN1 O00255 5/20 0.63
KMT2A Q03164 5/20 0.63
MAPT P10636 3/20 0.63
LMNA P02545 3/20 0.60
NPSR1 Q6W5P4 1/20 0.56
ACP1 P24666 3/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
USP2 O75604 6/20 0.52
ALOX15 P16050 4/20 0.52
HSD17B10 Q99714 4/20 0.52
CYP1A2 P05177 7/20 0.50
CYP3A4 P08684 7/20 0.50
CYP2D6 P10635 7/20 0.50
CYP2C19 P33261 5/20 0.50
CLK4 Q9HAZ1 5/20 0.50
ALDH1A1 P00352 3/20 0.50
TP53 P04637 2/20 0.50
HBB P68871 1/20 0.50

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
SCHEMBL1085329 0.86 ACP1 (0.69) MAPK1TSHRMEN1KMT2AMAPT
SCHEMBL3974887 0.82 MAPK1 (0.82) MAPK1TSHRMEN1KMT2AMAPT
SCHEMBL3460217 0.80 MAPK1 (0.61) MAPK1TSHRMEN1KMT2AMAPT
SCHEMBL3981553 0.80 MAPK1 (0.81) MAPK1TSHRMEN1KMT2AMAPT
SCHEMBL3972057 0.78 MAPK1 (0.71) MAPK1TSHRMEN1KMT2AMAPT
SCHEMBL3975881 0.77 MAPK1 (0.67) MAPK1TSHRMEN1KMT2AMAPT
SCHEMBL3973044 0.76 ADORA1 (0.56) MAPK1TSHRMEN1KMT2AMAPT
SCHEMBL1085090 0.76 ACP1 (0.84) MAPK1TSHRMEN1KMT2AMAPT
SCHEMBL14259847 0.75 ACP1 (0.69) MAPK1TSHRMEN1KMT2AMAPT
SCHEMBL6671471 0.75 SLC2A1 (0.70) MAPK1MEN1KMT2AMAPTLMNA

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 MAPK1 3502/4885TSHR 696/4885MEN1 3915/4885

“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.