SCHEMBL3761014

SCHEMBL3761014

CCNC(=O)Nc1nc2cc(-c3cncc(O)c3)c(F)cc2s1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.55
PIK3CA P42336 1/20 0.53
PIK3CG P48736 1/20 0.53
ABL1 P00519 8/20 0.52
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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 0.87 PIK3CG (0.71) PIK3CDPIK3CAPIK3CGABL1
SCHEMBL3662337 0.86 ABL1 (0.58) PIK3CDABL1
SCHEMBL3662009 0.80 ABL1 (0.53) PIK3CDPIK3CAPIK3CGABL1NPC1
SCHEMBL3664150 0.80 ABL1 (0.53) PIK3CDPIK3CAPIK3CGABL1NPC1
SCHEMBL3661848 0.80 ABL1 (0.48) PIK3CDPIK3CAPIK3CGABL1NPC1
SCHEMBL15260227 0.80 PIK3CD (0.48) PIK3CDPIK3CAPIK3CGABL1NPC1
SCHEMBL3658741 0.80 ABL1 (0.53) PIK3CDPIK3CAPIK3CGABL1NPC1
SCHEMBL12997537 0.79 ABL1 (0.52) PIK3CDPIK3CAPIK3CGABL1NPC1
SCHEMBL3665388 0.79 ABL1 (0.52) PIK3CDPIK3CAPIK3CGABL1NPC1
SCHEMBL3757887 0.78 ABL1 (0.48) PIK3CDPIK3CAPIK3CGABL1NPC1

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 8 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

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 PIK3CD 442/4885PIK3CA 994/4885PIK3CG 426/4885
US-20100305067-A1 ANTIBACTERIAL CONDENSED THIAZOLES NEK6, NEK1, TXK PIK3CD 3482/4885PIK3CA 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.