SCHEMBL4348091

SCHEMBL4348091

CC(=O)Nc1ccc(-c2ccc3c(-c4ccc(C)c(F)c4)n[nH]c3n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.45
MAPT P10636 6/20 0.45
KDM4E B2RXH2 6/20 0.45
MEN1 O00255 5/20 0.45
ALDH1A1 P00352 4/20 0.45
RXFP1 Q9HBX9 3/20 0.45
HPGD P15428 3/20 0.45
POLB P06746 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
TP53 P04637 1/20 0.45
LRRK2 Q5S007 1/20 0.44
ADORA2A P29274 2/20 0.43
ADORA1 P30542 1/20 0.43
PDE10A Q9Y233 2/20 0.43
PRNP P04156 1/20 0.43
GAA P10253 1/20 0.43
CHEK1 O14757 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CYP2C19 P33261 1/20 0.42
XDH P47989 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
SCHEMBL4348246 0.88 ABL1 (0.48) KMT2AMAPTKDM4EMEN1ALDH1A1
SCHEMBL4348340 0.88 KDM4E (0.44) KMT2AMAPTKDM4EMEN1ALDH1A1
SCHEMBL4348258 0.85 MEN1 (0.47) KMT2AMAPTKDM4EMEN1ALDH1A1
SCHEMBL4348111 0.84 KDM4E (0.50) KMT2AMAPTKDM4EMEN1ALDH1A1
SCHEMBL12342682 0.84 MEN1 (0.39) KMT2AMAPTKDM4EMEN1ALDH1A1
SCHEMBL4344646 0.83 PDE5A (0.50) KMT2AMAPTKDM4EMEN1ALDH1A1
SCHEMBL4348577 0.82 KMT2A (0.47) KMT2AMAPTKDM4EMEN1ALDH1A1
SCHEMBL11939099 0.82 KMO (0.41) KMT2AMAPTMEN1ALDH1A1RXFP1
SCHEMBL4354540 0.82 KDM4E (0.49) KMT2AMAPTKDM4EMEN1ALDH1A1
SCHEMBL4352342 0.81 JAK3 (0.47) KMT2AMEN1POLBSMN1; SMN2TP53

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 KMT2A 1524/4885MAPT 3703/4885KDM4E 1924/4885
US-20110312992-A1 Inhibitors of C-Kit and Uses Thereof KIT, CHUK, MASTL KMT2A 773/4885MAPT 4194/4885KDM4E 702/4885
US-20120302565-A1 KINASE INHIBITORS FOR PREVENTING OR TREATING PATHOGEN INFECTION AND METHOD OF USE THEREOF MAP3K1, MAP3K2, MAP3K6 KMT2A 1524/4885MAPT 3703/4885KDM4E 1924/4885
US-20090281115-A1 INHIBITORS OF C-KIT AND USES THEREOF KIT, CHUK, MASTL KMT2A 773/4885MAPT 4194/4885KDM4E 702/4885

“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.