SCHEMBL3537200

SCHEMBL3537200

NC(c1nc(/C=C/c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)nc2cc(Cl)ccc12)C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.39
HTR2C P28335 2/20 0.38
HTR2B P41595 2/20 0.38
AKR1C3 P42330 1/20 0.38
APP P05067 5/20 0.37
SLC6A4 P31645 1/20 0.37
LMNA P02545 3/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 3/20 0.35
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
UBE2N P61088 1/20 0.35
KMT2A Q03164 1/20 0.35
THRB P10828 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL6666679 0.91 KCNA3 (0.37) KCNA3HTR2CHTR2BAKR1C3APP
SCHEMBL3534230 0.82 KCNA3 (0.41) KCNA3AKR1C3APPLMNAKDM4E
SCHEMBL3534232 0.82 KCNA3 (0.41) KCNA3AKR1C3APPLMNAKDM4E
SCHEMBL3537203 0.82 HTR3A (0.42) KCNA3HTR2CHTR2BAPP
SCHEMBL3540302 0.81 KCNA3 (0.38) KCNA3AKR1C3LMNAKDM4EALDH1A1
SCHEMBL3540304 0.81 KCNA3 (0.38) KCNA3AKR1C3LMNAKDM4EALDH1A1
SCHEMBL6666690 0.80 KCNA3 (0.40) KCNA3HTR2CHTR2BAKR1C3APP
SCHEMBL6666675 0.77 KCNA3 (0.38) KCNA3HTR2CHTR2BAKR1C3APP
SCHEMBL3534565 0.76 KCNA3 (0.38) KCNA3HTR2CHTR2BAPP
SCHEMBL3534567 0.76 KCNA3 (0.38) KCNA3HTR2CHTR2BAPP

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-7829566-B2 Such as (7-chloro-2-styryl-quinazolin-4-yl)-(3-imidazol-1-yl-propyl)-amine; glycoprotein antagonist; anticholesterol agents; cardiovascular disorders; strokes; antiischemic agents MEDERSKI WERNER 2010-11-09 US disclosed
US-20070293667-A1 4-Amino-quinazolines MEDERSKI WERNER 2007-12-20 US disclosed
US-20040044204-A1 4-amino-quinazolines ORTHO-MCNEIL PHARMACEUTICALS, INC. 2004-03-04 US disclosed
EP-1318985-A2 4-AMINO-QUINAZOLINES MERCK PATENT GmbH (DE) 2003-06-18 EP disclosed
WO-2002024666-A2 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 (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-20040044204-A1 4-amino-quinazolines MRGPRX4, MRGPRX1, MRGPRX2 KCNA3 457/4885HTR2C 202/4885HTR2B 354/4885
US-20070293667-A1 4-Amino-quinazolines MRGPRX4, MRGPRX1, MRGPRX2 KCNA3 579/4885HTR2C 289/4885HTR2B 434/4885

“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.