SCHEMBL3753158

SCHEMBL3753158

CCNC(=O)Nc1nc2cc(-c3c[nH]c4ncccc34)c(F)cc2s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ABL1 P00519 9/20 0.48
CDC7 O00311 1/20 0.44
DAPK3 O43293 1/20 0.44
ROCK2 O75116 1/20 0.44
PRKD3 O94806 1/20 0.44
MAP4K4 O95819 1/20 0.44
PAK4 O96013 1/20 0.44
PIM1 P11309 1/20 0.44
PRKACA P17612 1/20 0.44
CDK2 P24941 1/20 0.44
FLT3 P36888 1/20 0.44
SYK P43405 1/20 0.44
CSNK1A1 P48729 1/20 0.44
CLK2 P49760 1/20 0.44
GSK3B P49841 1/20 0.44
CDK7 P50613 1/20 0.44
CDK9 P50750 1/20 0.44

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
SCHEMBL3662337 0.81 ABL1 (0.58) ABL1
SCHEMBL13888031 0.75 ROCK1 (0.67) CDC7DAPK3ROCK2PRKD3MAP4K4
SCHEMBL3756716 0.74 ABL1 (0.56) NPC1RAB9ASMN1; SMN2ABL1DYRK1A
SCHEMBL3664150 0.74 ABL1 (0.53) NPC1RAB9ASMN1; SMN2ABL1DYRK1A
SCHEMBL3658741 0.74 ABL1 (0.53) NPC1RAB9ASMN1; SMN2ABL1
SCHEMBL15260090 0.74 ABL1 (0.49) ABL1
SCHEMBL13798160 0.73 NPC1 (0.59) NPC1RAB9ASMN1; SMN2ABL1DYRK1A
SCHEMBL6068056 0.72 NPC1 (0.57) NPC1RAB9ASMN1; SMN2ABL1DYRK1A
SCHEMBL13798157 0.72 NPC1 (0.57) NPC1RAB9ASMN1; SMN2ABL1DYRK1A
SCHEMBL3661653 0.72 NPC1 (0.57) NPC1RAB9ASMN1; SMN2ABL1DYRK1A

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
EP-2231653-B1 ANTIBACTERIAL CONDENSED THIAZOLES BIOTA EUROPE LTD (GB) 2013-04-03 EP claimed
US-8299065-B2 Antibacterial condensed thiazoles BIOTA EUROPE LTD. (GB) 2012-10-30 US claimed
US-20100305067-A1 ANTIBACTERIAL CONDENSED THIAZOLES BIOTA EUROPE LTD (GB) 2010-12-02 US claimed
US-20170007615-A1 Antibacterial Compounds SPERO GYRASE, INC. 2017-01-12 US disclosed
US-8299065-B2 Antibacterial condensed thiazoles BIOTA EUROPE LTD. (GB) 2012-10-30 US disclosed
US-8299065-B2 Antibacterial condensed thiazoles BIOTA EUROPE LTD. (GB) 2012-10-30 US disclosed
US-20100305067-A1 ANTIBACTERIAL CONDENSED THIAZOLES BIOTA EUROPE LTD (GB) 2010-12-02 US disclosed
US-20100305067-A1 ANTIBACTERIAL CONDENSED THIAZOLES BIOTA EUROPE LTD (GB) 2010-12-02 US disclosed
WO-2009074812-A1 ANTIBACTERIAL CONDENSED THIAZOLES PROLYSIS LTD (GB) 2009-06-18 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 (2 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-20170007615-A1 Antibacterial Compounds CLPP, MRPL21, RELA NPC1 1397/4885RAB9A 845/4885SMN1; SMN2 4531/4885
US-20100305067-A1 ANTIBACTERIAL CONDENSED THIAZOLES NEK6, NEK1, TXK NPC1 2672/4885RAB9A 2295/4885SMN1; SMN2 3360/4885

“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.