SCHEMBL6790212

SCHEMBL6790212

NC(CNC(=O)C1CCN(c2ccncc2)CC1)C(=O)N1CCCCC1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.60
ITGA2B P08514 8/20 0.60
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
F10 P00742 4/20 0.45
GFER P55789 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPK1 P28482 1/20 0.43
NAMPT P43490 2/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL8543521 0.85 ITGB3 (0.49) ITGB3ITGA2BHDAC3HDAC1F10
SCHEMBL8542353 0.83 ITGB3 (0.48) ITGB3ITGA2BHDAC3HDAC1F10
Hydrochloric Acid SCHEMBL6786102 0.83 ITGB3 (0.47) ITGB3ITGA2BHDAC3HDAC1F10
Hydrochloric Acid SCHEMBL8542083 0.83 ITGB3 (0.47) ITGB3ITGA2BHDAC3HDAC1F10
SCHEMBL8548825 0.82 ITGB3 (0.48) ITGB3ITGA2BHDAC3HDAC1F10
Hydrochloric Acid SCHEMBL6795097 0.80 ITGB3 (0.59) ITGB3ITGA2BHDAC3HDAC1F10
SCHEMBL8548990 0.79 ITGB3 (0.45) ITGB3ITGA2BHDAC3HDAC1F10
Hydrochloric Acid SCHEMBL7406826 0.79 ITGB3 (0.43) ITGB3ITGA2BHDAC3HDAC1F10
SCHEMBL6792717 0.77 ITGB3 (0.48) ITGB3ITGA2BNAMPTKDM4E
SCHEMBL6792152 0.77 ITGB3 (0.69) ITGB3ITGA2BF10GFERSMN1; SMN2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6730672-B2 PROTEASE INHIBITOR ZENECA LIMITED (GB) 2004-05-04 US disclosed
US-20020119968-A1 Aminoheterocyclic derivatives as antithrombotic or anticoagulant agents ZENECA LIMITED 2002-08-29 US disclosed
US-6225309-B1 Aminoheterocyclic derivatives as antithrombotic or anticoagulant agents ZENECA LIMITED (GB) 2001-05-01 US disclosed
US-5965559-A STRONG INHIBITORY EFFECT AGAINST THE ACTIVATED COAGULATION PROTEASE KNOWN AS FACTOR XA; PREVENTION OF THE CLEAVAGE OF PROTHROMBIN TO THROMBIN; AMINO-SUBSTITUTED PYRIMIDINES AMIDINE GROUP-FREE ZENECA LIMITED (GB) 1999-10-12 US disclosed
EP-0783500-B1 AMINOHETEROCYCLIC DERIVATIVES AS ANTITHROMBOTIC OR ANTICOAGULANT AGENTS ZENECA LTD (GB) 1998-07-22 EP disclosed
EP-0783500-A1 AMINOHETEROCYCLIC DERIVATIVES AS ANTITHROMBOTIC OR ANTICOAGULANT AGENTS ZENECA LIMITED (GB) 1997-07-16 EP disclosed
WO-1996010022-A1 AMINOHETEROCYCLIC DERIVATIVES AS ANTITHROMBOTIC OR ANTICOAGULANT AGENTS ZENECA LIMITED (GB) 1996-04-04 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-20020119968-A1 Aminoheterocyclic derivatives as antithrombotic or anticoagulant agents SERPINC1, F2, SULT1E1 ITGB3 254/4885ITGA2B 708/4885HDAC3 202/4885

“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.