SCHEMBL2226495

SCHEMBL2226495

Clc1ccc(Nc2cccc(-c3cnc(-c4ccsc4)o3)n2)nc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
MAPT P10636 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
KDM4E B2RXH2 3/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
NFKB1 P19838 2/20 0.39
NFKB2 Q00653 2/20 0.39
RELA Q04206 2/20 0.39
XBP1 P17861 1/20 0.39
AHR P35869 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SLC2A1 P11166 1/20 0.39
CTSC P53634 12/20 0.39
KDR P35968 1/20 0.37
MAPK1 P28482 1/20 0.35
CTSL P07711 2/20 0.35
ROCK2 O75116 1/20 0.34

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
SCHEMBL14674069 0.87 BTK (0.43) MEN1KMT2AMAPTSMN1; SMN2KDM4E
SCHEMBL2229276 0.85 KDR (0.46) MEN1KMT2AMAPTSMN1; SMN2KDM4E
SCHEMBL2225026 0.85 CTSC (0.39) KMT2AMAPTNPC1RAB9ACTSC
SCHEMBL2224901 0.79 KARS1 (0.53) MEN1KMT2ANPC1RAB9ASLC2A1
SCHEMBL14674071 0.79 KARS1 (0.38) MEN1KMT2AMAPTSMN1; SMN2NPC1
SCHEMBL2226110 0.79 SLC2A1 (0.44) MEN1KMT2AMAPTSMN1; SMN2KDM4E
SCHEMBL2356666 0.77 NPC1 (0.39) MEN1KMT2AMAPTSMN1; SMN2KDM4E
SCHEMBL2280201 0.77 FYN (0.39) MEN1KMT2AMAPTSMN1; SMN2KDM4E
SCHEMBL2355373 0.76 ROCK2 (0.32) KMT2AMAPTNPC1RAB9AROCK2
SCHEMBL3254639 0.72 MAP4K4 (0.54) MEN1KMT2AMAPTSMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2523952-B1 OXAZOLE KINASE INHIBITORS AB SCIENCE (FR) 2015-03-04 EP claimed
CN-102812022-A Thiazole and oxazole kinase inhibitors AB SCIENCE 2012-12-05 CN claimed
EP-2523952-A1 THIAZOLE AND OXAZOLE KINASE INHIBITORS AB Science (FR) 2012-11-21 EP claimed
WO-2011086085-A1 THIAZOLE AND OXAZOLE KINASE INHIBITORS AB SCIENCE (FR) 2011-07-21 WO claimed
EP-2523952-B1 OXAZOLE KINASE INHIBITORS AB SCIENCE (FR) 2015-03-04 EP disclosed
US-8962665-B2 Thiazole and oxazole kinase inhibitors AB SCIENCE (FR) 2015-02-24 US disclosed
US-8962665-B2 Thiazole and oxazole kinase inhibitors AB SCIENCE (FR) 2015-02-24 US disclosed
US-8962665-B2 Thiazole and oxazole kinase inhibitors AB SCIENCE (FR) 2015-02-24 US disclosed
US-20130035331-A1 THIAZOLE AND OXAZOLE KINASE INHIBITORS AB SCIENCE (FR) 2013-02-07 US disclosed
US-20130035331-A1 THIAZOLE AND OXAZOLE KINASE INHIBITORS AB SCIENCE (FR) 2013-02-07 US disclosed
US-20130035331-A1 THIAZOLE AND OXAZOLE KINASE INHIBITORS AB SCIENCE (FR) 2013-02-07 US disclosed
CN-102812022-A Thiazole and oxazole kinase inhibitors AB SCIENCE 2012-12-05 CN disclosed
EP-2523952-A1 THIAZOLE AND OXAZOLE KINASE INHIBITORS AB Science (FR) 2012-11-21 EP disclosed
WO-2011086085-A1 THIAZOLE AND OXAZOLE KINASE INHIBITORS AB SCIENCE (FR) 2011-07-21 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-20130035331-A1 THIAZOLE AND OXAZOLE KINASE INHIBITORS SYK, LTK, MERTK MEN1 3607/4885KMT2A 1415/4885MAPT 2207/4885

“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.