SCHEMBL3907736

SCHEMBL3907736

O=C1NNNc2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRA P16234 1/20 0.52
FER P16591 1/20 0.52
LTK P29376 1/20 0.52
CDK8 P49336 1/20 0.52
ACVR1 Q04771 1/20 0.52
LRRK2 Q5S007 1/20 0.52
DYRK1B Q9Y463 1/20 0.52
PDE7A Q13946 1/20 0.47
PDE7B Q9NP56 1/20 0.47
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
GSK3B P49841 1/20 0.44
TNKS2 Q9H2K2 6/20 0.44
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 6/20 0.39
KDM4E B2RXH2 5/20 0.39
HSD17B10 Q99714 4/20 0.39
HPGD P15428 3/20 0.39
KMT2A Q03164 2/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL28588443 0.76 GSK3B (0.50) PDGFRAFERLTKCDK8ACVR1
SCHEMBL2864455 0.73
SCHEMBL2420711 0.72 LRRK2 (0.90) PDGFRAFERLTKCDK8ACVR1
SCHEMBL366728 0.72
SCHEMBL1618358 0.70 MAOA (0.42) PDGFRAFERLTKCDK8ACVR1
SCHEMBL17950746 0.70 CSNK1G1 (0.46) ACVR1LRRK2MAOAMAOBTNKS2
SCHEMBL17950676 0.70 ROS1 (0.53) ACVR1LRRK2MAOAMAOBALDH1A1
SCHEMBL17950748 0.70 CES1 (0.53) LTKCDK8ACVR1LRRK2DYRK1B
SCHEMBL1368292 0.68 LRRK2 (1.00) PDGFRAFERLTKCDK8ACVR1
Hydrochloric Acid SCHEMBL6299954 0.67 LRRK2 (0.95) PDGFRAFERLTKCDK8ACVR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2888234-B1 HAPTENS OF ARIPIPRAZOLE AND THEIR USE IN IMMUNOASSAYS JANSSEN PHARMACEUTICA NV (BE) 2017-12-06 EP disclosed
EP-2707361-B1 FUSED HETEROCYCLIC COMPOUNDS AS SODIUM CHANNEL MODULATORS GILEAD SCIENCES INC (US) 2017-08-23 EP disclosed
WO-2016116058-A1 TRIAZINE HETEROCYCLIC COMPOUND WITH NEMATICIDAL ACTIVITY AND PREPARATION METHOD THEREFOR AND USAGE THEREOF 华东理工大学 2016-07-28 WO disclosed
EP-1817325-B1 SULFATED MOLECULAR UMBRELLAS CONTAINING 6-200 CHOLANIC ACID (DERIVATIVE) UNITS AS ANTI-HIV AND ANTI-HSV AGENTS UNIV LEHIGH (US) 2009-01-21 EP disclosed
US-20070232576-A1 Sulfated molecular umbrellas as anti-HIV and anti-HSV agents LEHIGH UNIVERSITY (US) 2007-10-04 US disclosed
EP-1817325-A2 SULFATED MOLECULAR UMBRELLAS CONTAINING 6-200 CHOLANIC ACID (DERIVATIVE) UNITS AS ANTI-HIV AND ANTI-HSV AGENTS Lehigh University (US) 2007-08-15 EP disclosed
WO-2006034369-A2 SULFATED MOLECULAR UMBRELLAS CONTAINING 6-200 CHOLANIC ACID (DERIVATIVE) UNITS AS ANTI-HIV AND ANTI-HSV AGENTS LEHIGH UNIVERSITY (US) 2006-03-30 WO disclosed
EP-0804231-B1 SYNTHETIC MULTIPLE TANDEM REPEAT MUCIN AND MUCIN-LIKE PEPTIDES, AND USES THEREOF FINN OLIVERA J (US) 2003-02-05 EP disclosed
EP-1012285-A1 BETA-DEFENSINS ZymoGenetics, Inc. (US) 2000-06-28 EP disclosed
EP-0804231-A4 SYNTHETIC MULTIPLE TANDEM REPEAT MUCIN AND MUCIN-LIKE PEPTIDES, AND USES THEREOF FINN OLIVERA J (US) 1999-08-18 EP disclosed
WO-1999013080-A1 BETA-DEFENSINS ZYMOGENETICS, INC. (US) 1999-03-18 WO disclosed
EP-0885224-A1 PROCESS FOR PREPARING GANCICLOVIR DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1998-12-23 EP disclosed
EP-0804231-A1 SYNTHETIC MULTIPLE TANDEM REPEAT MUCIN AND MUCIN-LIKE PEPTIDES, AND USES THEREOF Finn, Olivera J. (US) 1997-11-05 EP disclosed
WO-1997027195-A9 PROCESS FOR PREPARING PURINE DERIVATIVES 1997-10-30 WO disclosed
WO-1997027194-A1 PROCESS FOR PREPARING PURINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1997-07-31 WO disclosed
WO-1997027197-A1 PROCESS FOR PREPARING GANCICLOVIR DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1997-07-31 WO disclosed
WO-1995003825-A1 SYNTHETIC MULTIPLE TANDEM REPEAT MUCIN AND MUCIN-LIKE PEPTIDES, AND USES THEREOF FINN OLIVERA J (US) 1995-02-09 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-20070232576-A1 Sulfated molecular umbrellas as anti-HIV and anti-HSV agents RPL17, SSU72, RPL27A PDGFRA 3791/4885FER 4856/4885LTK 2799/4885

“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.