SCHEMBL3756716

SCHEMBL3756716

CCNC(=O)Nc1nc2cc(-c3cc(OC)ccn3)c(F)cc2s1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 12/20 0.56
PIK3CA P42336 1/20 0.52
PIK3CG P48736 1/20 0.52
NPC1 O15118 6/20 0.50
RAB9A P51151 6/20 0.50
SMN1; SMN2 Q16637 5/20 0.50
DYRK1A Q13627 1/20 0.47
TSHR P16473 1/20 0.45
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
KMT2A Q03164 1/20 0.45
RELA Q04206 1/20 0.45
HDAC6 Q9UBN7 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
SCHEMBL3664841 0.80 PIK3CG (0.71) ABL1PIK3CAPIK3CG
SCHEMBL1282877 0.78 ABL1 (0.83) ABL1PIK3CAPIK3CGNPC1RAB9A
SCHEMBL3662337 0.77 ABL1 (0.58) ABL1
SCHEMBL2739784 0.75 PIK3CA (0.50) ABL1PIK3CAPIK3CG
SCHEMBL3664150 0.75 ABL1 (0.53) ABL1PIK3CAPIK3CGNPC1RAB9A
SCHEMBL3658741 0.75 ABL1 (0.53) ABL1PIK3CAPIK3CGNPC1RAB9A
SCHEMBL13798160 0.75 NPC1 (0.59) ABL1PIK3CAPIK3CGNPC1RAB9A
SCHEMBL3761014 0.75 PIK3CD (0.55) ABL1PIK3CAPIK3CGNPC1RAB9A
SCHEMBL3753158 0.74 NPC1 (0.48) ABL1NPC1RAB9ASMN1; SMN2DYRK1A
SCHEMBL13798157 0.74 NPC1 (0.57) ABL1PIK3CAPIK3CGNPC1RAB9A

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 12 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
EP-3102203-A2 ANTIBACTERIAL COMBINATIONS COMPRISING POLYMYXIN SPERO GYRASE, INC. (US) 2016-12-14 EP disclosed
WO-2015114452-A2 ANTIBACTERIAL COMPOUNDS BIOTA EUROPE LTD (GB) 2015-08-06 WO disclosed
EP-2231653-B1 ANTIBACTERIAL CONDENSED THIAZOLES BIOTA EUROPE LTD (GB) 2013-04-03 EP 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 ABL1 294/4885PIK3CA 994/4885PIK3CG 426/4885
US-20100305067-A1 ANTIBACTERIAL CONDENSED THIAZOLES NEK6, NEK1, TXK ABL1 89/4885PIK3CA 3784/4885PIK3CG 3648/4885

“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.