SCHEMBL3764077

SCHEMBL3764077

CCNC(=O)Nc1nc2cc(-c3ccc(NC(C)=O)nc3)cnc2s1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 3/20 0.49
PIM1 P11309 1/20 0.48
MAPK1 P28482 1/20 0.48
AURKB Q96GD4 1/20 0.48
PIK3CA P42336 1/20 0.48
PIK3CG P48736 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PIK3CD O00329 1/20 0.47

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
SCHEMBL13798313 0.92 ABL1 (0.49) ABL1PIM1MAPK1AURKBPIK3CA
SCHEMBL3661519 0.87 ABL1 (0.57) ABL1PIK3CAPIK3CGNPC1RAB9A
SCHEMBL2760372 0.86 ABL1 (0.48) ABL1NPC1RAB9ASMN1; SMN2
SCHEMBL220751 0.85 ABL1 (0.47) ABL1PIM1MAPK1AURKBPIK3CA
SCHEMBL3663678 0.83 ABL1 (0.56) ABL1
SCHEMBL13299057 0.81 PIK3CA (0.52) ABL1PIM1MAPK1AURKBPIK3CA
SCHEMBL2739690 0.80 PIK3CA (0.52) PIK3CAPIK3CG
SCHEMBL3664150 0.80 ABL1 (0.53) ABL1PIK3CAPIK3CGNPC1RAB9A
SCHEMBL13580034 0.80 NPC1 (0.46) ABL1PIK3CAPIK3CGNPC1RAB9A
SCHEMBL2760420 0.79 NPC1 (0.47) ABL1NPC1RAB9ASMN1; SMN2

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 7 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
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 294/4885PIM1 1792/4885MAPK1 2970/4885
US-20100305067-A1 ANTIBACTERIAL CONDENSED THIAZOLES NEK6, NEK1, TXK ABL1 89/4885PIM1 1153/4885MAPK1 605/4885

“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.