SCHEMBL3661487

SCHEMBL3661487

CCNC(=O)Nc1nc2cc(-c3ccn(C)c(=O)c3)ccc2s1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 8/20 0.57
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
PIK3CA P42336 1/20 0.50
PIK3CG P48736 1/20 0.50
ROCK2 O75116 1/20 0.49
PIK3CD O00329 1/20 0.49

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
SCHEMBL3663568 0.86 ABL1 (0.51) ABL1NPC1RAB9ASMN1; SMN2
SCHEMBL3664905 0.85 ABL1 (0.51) ABL1NPC1RAB9ASMN1; SMN2
SCHEMBL3767021 0.83 ABL1 (0.60) ABL1PIK3CAPIK3CG
SCHEMBL3659978 0.82 ABL1 (0.52) ABL1NPC1RAB9ASMN1; SMN2PIK3CA
SCHEMBL3659798 0.81 ABL1 (0.57) ABL1NPC1RAB9ASMN1; SMN2PIK3CA
SCHEMBL2739722 0.80 NPC1 (0.46) ABL1NPC1RAB9ASMN1; SMN2ROCK2
SCHEMBL3664024 0.80 ABL1 (0.52) ABL1NPC1RAB9ASMN1; SMN2PIK3CA
SCHEMBL3764995 0.80 ABL1 (0.58) ABL1NPC1RAB9ASMN1; SMN2PIK3CA
SCHEMBL2739717 0.79
SCHEMBL3661354 0.79 ABL1 (0.52) ABL1NPC1RAB9ASMN1; SMN2PIK3CA

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
CN-102015700-B Antibacterial condensed thiazoles BIOTA EUROPE LTD 2014-12-03 CN claimed
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
CN-102015700-B Antibacterial condensed thiazoles BIOTA EUROPE LTD 2014-12-03 CN 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
CN-102015700-A Antibacterial condensed thiazoles PROLYSIS LTD 2011-04-13 CN disclosed
US-20100305067-A1 ANTIBACTERIAL CONDENSED THIAZOLES BIOTA EUROPE LTD (GB) 2010-12-02 US disclosed
EP-2231653-A1 ANTIBACTERIAL CONDENSED THIAZOLES Biota Europe Ltd (GB) 2010-09-29 EP 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 294/4885NPC1 1397/4885RAB9A 845/4885
US-20100305067-A1 ANTIBACTERIAL CONDENSED THIAZOLES NEK6, NEK1, TXK ABL1 89/4885NPC1 2672/4885RAB9A 2295/4885

“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.