SCHEMBL3207077

SCHEMBL3207077

COc1ccc(C(=O)c2nccc(N)c2N)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.47
MAPT P10636 5/20 0.46
KMT2A Q03164 5/20 0.46
LMNA P02545 4/20 0.46
RAB9A P51151 4/20 0.46
MEN1 O00255 4/20 0.46
HPGD P15428 3/20 0.46
MAPK1 P28482 2/20 0.46
RXFP1 Q9HBX9 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
PARP10 Q53GL7 2/20 0.46
PARP1 P09874 1/20 0.46
PARP2 Q9UGN5 1/20 0.46
PARP4 Q9UKK3 1/20 0.46
ALDH1A1 P00352 5/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
HTT P42858 2/20 0.46
HSD17B10 Q99714 2/20 0.46

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
SCHEMBL6262123 0.79 SRD5A2 (0.47) MAPTKMT2ARAB9AMEN1ALDH1A1
SCHEMBL6255790 0.78 RAB9A (0.51) PDE10AMAPTKMT2ALMNARAB9A
SCHEMBL6255333 0.77 HDAC1 (0.44) KMT2ALMNAMEN1MAPK1NPSR1
SCHEMBL6260691 0.76 RAB9A (0.52) MAPTKMT2ALMNARAB9AMEN1
SCHEMBL6258754 0.75 MAPT (0.52) MAPTKMT2ALMNARAB9AMEN1
SCHEMBL6259938 0.75 MAPT (0.52) MAPTKMT2ALMNARAB9AMEN1
SCHEMBL6255143 0.74 CYP3A4 (0.50) KMT2ARAB9AMEN1MAPK1NPC1
SCHEMBL1445542 0.74 CNR2 (0.67) PDE10AKMT2ARAB9AHPGDNPSR1
SCHEMBL5806328 0.73 CA1 (0.50) PDE10AMAPTKMT2ALMNARAB9A
SCHEMBL3195451 0.72 KMT2A (0.58) MAPTKMT2ALMNARAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7666866-B2 Antithrombotic diamides ELI LILLY AND COMPANY (US) 2010-02-23 US disclosed
EP-1819693-B1 ANTITHROMBOTIC DIAMIDES LILLY CO ELI (US) 2009-08-26 EP disclosed
US-20090062271-A1 Antithrombotic Diamides ELI LILLY AND COMPANY (US) 2009-03-05 US disclosed
EP-0999834-B1 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2005-10-12 EP disclosed
US-6586459-B2 Inhibitors of factor Xa; for example 3-(4-tert-butylbenzoyl)amino-N-(4-methoxyphenyl)-2-thiophenecarboxamide BEIGHT DOUGLAS WADE (US) 2003-07-01 US disclosed
US-6583173-B2 Useful as anticoagulants in mammals; inhibitors of factor Xa ELI LILLY AND COMPANY 2003-06-24 US disclosed
US-20020072531-A1 Antithrombotic agents BEIGHT DOUGLAS WADE (US) 2002-06-13 US disclosed
US-20020049234-A1 Antithrombotic agents BEIGHT DOUGLAS WADE (US) 2002-04-25 US disclosed
US-6313151-B1 AS INHIBITORS OF FACTOR XA AND ARE USED AS ANTICOAGULANTS IN MAMMALS ELI LILLY AND COMPANY 2001-11-06 US disclosed
EP-0999834-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2001-04-04 EP disclosed
EP-0999834-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-05-17 EP disclosed
WO-1999000126-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1999-01-07 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 (3 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-20090062271-A1 Antithrombotic Diamides TFPI, SERPINC1, TFPI2 PDE10A 97/4885MAPT 4436/4885KMT2A 4224/4885
US-20020072531-A1 Antithrombotic agents SERPINC1, TFPI, F11 PDE10A 264/4885MAPT 4730/4885KMT2A 4505/4885
US-20020049234-A1 Antithrombotic agents SERPINC1, TFPI, F11 PDE10A 264/4885MAPT 4730/4885KMT2A 4505/4885

“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.