SCHEMBL4354392

SCHEMBL4354392

CCc1ccc(-c2n[nH]c3nc(-c4cccc(NC(C)=O)c4)ccc23)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTK P33981 3/20 0.49
MAPK8 P45983 2/20 0.49
JAK3 P52333 1/20 0.47
MELK Q14680 1/20 0.47
CYP17A1 P05093 1/20 0.47
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
CCNE2 O96020 1/20 0.46
CDK4 P11802 1/20 0.46
CCND1 P24385 1/20 0.46
CCNE1 P24864 1/20 0.46
CDK2 P24941 1/20 0.46
PDE5A O76074 1/20 0.46
PDE1A P54750 1/20 0.46
PDE1B Q01064 1/20 0.46
PDE3B Q13370 1/20 0.46
PDE1C Q14123 1/20 0.46
PDE3A Q14432 1/20 0.46
HSD17B1 P14061 1/20 0.46
HSD17B2 P37059 1/20 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
SCHEMBL12035274 0.88 NPC1 (0.52) TTKMAPK8JAK3MELKPDE5A
SCHEMBL12035332 0.88 TTK (0.48) TTKMAPK8CCNE2CDK4CCND1
SCHEMBL4361312 0.87 DYRK1A (0.50) TTKMAPK8JAK3MELKPDE5A
SCHEMBL4344680 0.87 JAK3 (0.48) TTKMAPK8JAK3MELKPDE5A
SCHEMBL12340070 0.87 TTK (0.50) TTKMAPK8JAK3MELKHSD17B1
SCHEMBL11939374 0.85 FYN (0.62) TTKMAPK8JAK3MELKCCNE2
SCHEMBL12035407 0.84 JAK3 (0.46) TTKMAPK8JAK3MELKPDE5A
SCHEMBL4355415 0.84 TTK (0.48) TTKMAPK8JAK3MELKPDE5A
SCHEMBL12035391 0.83 JAK3 (0.49) TTKMAPK8JAK3MELKCDK2
SCHEMBL12035309 0.83 TTK (0.47) TTKMAPK8CDK2AAK1FGFR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110312992-A1 Inhibitors of C-Kit and Uses Thereof BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2011-12-22 US claimed
US-20120302565-A1 KINASE INHIBITORS FOR PREVENTING OR TREATING PATHOGEN INFECTION AND METHOD OF USE THEREOF M.D. ANDERSON CANCER CENTER (US) 2012-11-29 US disclosed
US-8268809-B2 Kinase inhibitors for preventing or treating pathogen infection and method of use thereof EMORY UNIVERSITY (US) 2012-09-18 US disclosed
US-20110312992-A1 Inhibitors of C-Kit and Uses Thereof BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2011-12-22 US disclosed
US-20110312992-A1 Inhibitors of C-Kit and Uses Thereof BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2011-12-22 US disclosed
US-20100249122-A1 Kinase Inhibitors for Preventing or Treating Pathogen Infection and Method of Use Thereof EMORY UNIVERSITY (US) 2010-09-30 US disclosed
US-20090281115-A1 INHIBITORS OF C-KIT AND USES THEREOF Board of Regents, The University of Texas System, a Texas University (US) 2009-11-12 US disclosed
US-20090281115-A1 INHIBITORS OF C-KIT AND USES THEREOF Board of Regents, The University of Texas System, a Texas University (US) 2009-11-12 US disclosed
WO-2008005877-A2 INHIBITORS OF C-KIT AND USES THEREOF BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2008-01-10 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 (4 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-20100249122-A1 Kinase Inhibitors for Preventing or Treating Pathogen Infection and Method of Use Thereof MAP3K1, MAP3K2, MAP3K6 TTK 147/4885MAPK8 96/4885JAK3 163/4885
US-20110312992-A1 Inhibitors of C-Kit and Uses Thereof KIT, CHUK, MASTL TTK 214/4885MAPK8 446/4885JAK3 493/4885
US-20120302565-A1 KINASE INHIBITORS FOR PREVENTING OR TREATING PATHOGEN INFECTION AND METHOD OF USE THEREOF MAP3K1, MAP3K2, MAP3K6 TTK 147/4885MAPK8 96/4885JAK3 163/4885
US-20090281115-A1 INHIBITORS OF C-KIT AND USES THEREOF KIT, CHUK, MASTL TTK 214/4885MAPK8 446/4885JAK3 493/4885

“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.