SCHEMBL4352449

SCHEMBL4352449

CCOC(=O)c1ccc(-c2ccc3c(-c4ccc(C#N)cc4)n[nH]c3n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.51
TRPA1 O75762 1/20 0.48
ALDH1A1 P00352 4/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
RAF1 P04049 1/20 0.42
PDGFRB P09619 1/20 0.42
KIT P10721 1/20 0.42
FGFR1 P11362 1/20 0.42
BRAF P15056 1/20 0.42
KDR P35968 1/20 0.42
TEK Q02763 1/20 0.42
TDP1 Q9NUW8 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
ELANE P08246 2/20 0.41
KMT2A Q03164 1/20 0.41
HPGD P15428 3/20 0.40
RARA P10276 1/20 0.40
RARB P10826 1/20 0.40
RARG P13631 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL4349663 0.91 KDM4E (0.59) KDM4EL3MBTL1KMT2ARARARARB
SCHEMBL12035329 0.88 KDM4E (0.56) KDM4ESMN1; SMN2KMT2ARARARARB
SCHEMBL11939094 0.88 KDM4E (0.56) KDM4ESMN1; SMN2L3MBTL1RARARARB
SCHEMBL12035436 0.87 KDM4E (0.55) KDM4ESMN1; SMN2L3MBTL1KMT2ARARA
SCHEMBL4362439 0.86 KDM4E (0.54) KDM4ERARARARBRARGMAPK1
SCHEMBL4352101 0.86 KDM4E (0.54) KDM4EALDH1A1SMN1; SMN2L3MBTL1KMT2A
SCHEMBL4349388 0.85 MAPT (0.54) KDM4ESMN1; SMN2L3MBTL1KMT2AGAA
SCHEMBL12340092 0.84 KDM4E (0.57) KDM4EALDH1A1SMN1; SMN2L3MBTL1KMT2A
SCHEMBL4348385 0.83 KDM4E (0.51) KDM4EALDH1A1SMN1; SMN2L3MBTL1KMT2A
SCHEMBL12035446 0.83 KDM4E (0.51) KDM4EL3MBTL1KMT2ARARARARB

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 11 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
EP-2471529-A2 Kinase Inhibitors for Preventing or Treating Pathogen Infection and Method of Use Thereof Emory University (US) 2012-07-04 EP 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
EP-2364702-A2 Kinase inhibitors for preventing or treating pathogen infection and method of use thereof Emory University (US) 2011-09-14 EP 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-2008079460-A2 TYROSINE KINASE INHIBITORS FOR PREVENTION OR TREATMENT OF INFECTION EMORY UNIVERSITY (US) 2008-07-03 WO 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
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 (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-20110312992-A1 Inhibitors of C-Kit and Uses Thereof KIT, CHUK, MASTL KDM4E 702/4885TRPA1 4836/4885ALDH1A1 1229/4885
US-20120302565-A1 KINASE INHIBITORS FOR PREVENTING OR TREATING PATHOGEN INFECTION AND METHOD OF USE THEREOF MAP3K1, MAP3K2, MAP3K6 KDM4E 1924/4885TRPA1 4300/4885ALDH1A1 4507/4885
US-20090281115-A1 INHIBITORS OF C-KIT AND USES THEREOF KIT, CHUK, MASTL KDM4E 702/4885TRPA1 4836/4885ALDH1A1 1229/4885

“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.