SCHEMBL4344680

SCHEMBL4344680

CC(=O)Nc1cccc(-c2ccc3c(-c4ccc(F)cc4)n[nH]c3n2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 1/20 0.48
MELK Q14680 1/20 0.48
HSD17B1 P14061 1/20 0.47
HSD17B2 P37059 1/20 0.47
BRAF P15056 3/20 0.46
TTK P33981 2/20 0.46
MAPK8 P45983 1/20 0.46
AAK1 Q2M2I8 1/20 0.46
FYN P06241 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.46
STAT1 P42224 1/20 0.46
PDE5A O76074 1/20 0.45
PDE1A P54750 1/20 0.45
PDE1B Q01064 1/20 0.45
PDE3B Q13370 1/20 0.45
PDE1C Q14123 1/20 0.45
PDE3A Q14432 1/20 0.45

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 0.90 NPC1 (0.52) JAK3MELKHSD17B1HSD17B2BRAF
SCHEMBL4361312 0.89 DYRK1A (0.50) JAK3MELKHSD17B1HSD17B2BRAF
SCHEMBL4352342 0.88 JAK3 (0.47) JAK3MELKHSD17B1HSD17B2BRAF
SCHEMBL4348258 0.88 MEN1 (0.47) JAK3TTKMAPK8RAB9ASMN1; SMN2
SCHEMBL11939374 0.87 FYN (0.62) JAK3MELKHSD17B1HSD17B2BRAF
SCHEMBL4354392 0.87 TTK (0.49) JAK3MELKHSD17B1HSD17B2BRAF
SCHEMBL4351868 0.87 PDE5A (0.48) JAK3MELKHSD17B1HSD17B2BRAF
SCHEMBL4349719 0.87 ABL1 (0.47) JAK3MELKHSD17B1HSD17B2BRAF
SCHEMBL12035407 0.86 JAK3 (0.46) JAK3MELKHSD17B1HSD17B2BRAF
SCHEMBL4355415 0.86 TTK (0.48) JAK3MELKHSD17B1HSD17B2TTK

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 16 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-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-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
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-20100249122-A1 Kinase Inhibitors for Preventing or Treating Pathogen Infection and Method of Use Thereof EMORY UNIVERSITY (US) 2010-09-30 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
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 JAK3 163/4885MELK 277/4885HSD17B1 3978/4885
US-20110312992-A1 Inhibitors of C-Kit and Uses Thereof KIT, CHUK, MASTL JAK3 493/4885MELK 802/4885HSD17B1 4193/4885
US-20120302565-A1 KINASE INHIBITORS FOR PREVENTING OR TREATING PATHOGEN INFECTION AND METHOD OF USE THEREOF MAP3K1, MAP3K2, MAP3K6 JAK3 163/4885MELK 277/4885HSD17B1 3978/4885
US-20090281115-A1 INHIBITORS OF C-KIT AND USES THEREOF KIT, CHUK, MASTL JAK3 493/4885MELK 802/4885HSD17B1 4193/4885

“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.