SCHEMBL3753103

SCHEMBL3753103

CCNC(=O)Nc1nc2cc(-c3cc(C)n(Cc4ccccn4)c(=O)c3)ccc2s1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 9/20 0.51
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
PIK3CA P42336 1/20 0.42
PIK3CG P48736 1/20 0.42
PIK3CD O00329 1/20 0.41

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
SCHEMBL3657359 0.89 ABL1 (0.49) ABL1NPC1RAB9ASMN1; SMN2PIK3CA
SCHEMBL3664080 0.84 ABL1 (0.49) ABL1NPC1RAB9ASMN1; SMN2PIK3CA
SCHEMBL3659978 0.83 ABL1 (0.52) ABL1NPC1RAB9ASMN1; SMN2PIK3CA
SCHEMBL3658773 0.83 ABL1 (0.50) ABL1NPC1RAB9ASMN1; SMN2
SCHEMBL16975231 0.82 NPC1 (0.40) ABL1NPC1RAB9ASMN1; SMN2
SCHEMBL3664024 0.81 ABL1 (0.52) ABL1NPC1RAB9ASMN1; SMN2PIK3CA
SCHEMBL12630368 0.76 ABL1 (0.42) ABL1
SCHEMBL3661487 0.75 ABL1 (0.57) ABL1NPC1RAB9ASMN1; SMN2PIK3CA
SCHEMBL12630383 0.75 ABL1 (0.41) ABL1
SCHEMBL8997525 0.74 ABL1 (0.40) ABL1

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 6 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-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 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.