SCHEMBL15260010

SCHEMBL15260010

CCNC(=O)Nc1nc2cc(-c3cnc(C(C)(C)O)nc3)cc(OC)c2s1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 10/20 0.48
▸ MAPK1 P28482 3/20 0.46
▸ AURKB Q96GD4 2/20 0.46
▸ YES1 P07947 1/20 0.46
▸ HIPK1 Q86Z02 1/20 0.46
▸ PIK3CA P42336 3/20 0.45
▸ PIK3CG P48736 1/20 0.45
▸ MAPK8 P45983 2/20 0.43
▸ MAPK9 P45984 2/20 0.43
▸ MAPK10 P53779 2/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL15260051 0.87 ABL1 (0.43) ABL1PIK3CAPIK3CGNPC1RAB9A
SCHEMBL15260270 0.86 NPC1 (0.43) ABL1PIK3CAPIK3CGNPC1RAB9A
SCHEMBL15260100 0.83 NPC1 (0.43) ABL1NPC1RAB9ASMN1; SMN2
SCHEMBL15260016 0.83 ABL1 (0.59) ABL1PIK3CAPIK3CGNPC1RAB9A
SCHEMBL19342816 0.81 MTOR (0.41) ABL1NPC1RAB9ASMN1; SMN2
SCHEMBL15259991 0.81 ABL1 (0.43) ABL1NPC1RAB9ASMN1; SMN2
SCHEMBL15260104 0.80 NPC1 (0.47) ABL1NPC1RAB9ASMN1; SMN2
SCHEMBL15260180 0.80 NPC1 (0.40) ABL1NPC1RAB9ASMN1; SMN2
SCHEMBL15259975 0.79 MTOR (0.51) PIK3CAPIK3CG
SCHEMBL16975264 0.78 NPC1 (0.42) 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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170260178-A1 ANTIBACTERIAL COMPOUNDS SPERO GYRASE INC (US) 2017-09-14 — — US claimed
US-20170007615-A1 Antibacterial Compounds SPERO GYRASE, INC. 2017-01-12 — — US claimed
US-20150329530-A1 ANTIBACTERIAL COMPUNDS SPERO GYRASE, INC. 2015-11-19 — — US claimed
EP-2828257-A1 ANTIBACTERIAL COMPOUNDS Biota Europe Ltd (GB) 2015-01-28 — — EP claimed
US-8906902-B2 Antibacterial compounds BIOTA EUROPE LIMITED (GB) 2014-12-09 — — US claimed
WO-2013138860-A1 ANTIBACTERIAL COMPOUNDS BIOTA EUROPE LIMITED (GB) 2013-09-26 — — WO claimed
US-20130252938-A1 Antibacterial Compounds BIOTA EUROPE LTD. (GB) 2013-09-26 — — US claimed
US-20170260178-A1 ANTIBACTERIAL COMPOUNDS SPERO GYRASE INC (US) 2017-09-14 — — US disclosed
US-20170260178-A1 ANTIBACTERIAL COMPOUNDS SPERO GYRASE INC (US) 2017-09-14 — — US disclosed
US-20170260178-A1 ANTIBACTERIAL COMPOUNDS SPERO GYRASE INC (US) 2017-09-14 — — US disclosed
EP-2828257-B1 ANTIBACTERIAL COMPOUNDS BIOTA EUROPE LTD (GB) 2017-07-26 — — EP disclosed
EP-2828257-B1 ANTIBACTERIAL COMPOUNDS BIOTA EUROPE LTD (GB) 2017-07-26 — — EP disclosed
US-9604976-B2 Antibacterial compounds SPERO GYRASE, INC. (US) 2017-03-28 — — US disclosed
US-8906902-B2 Antibacterial compounds BIOTA EUROPE LIMITED (GB) 2014-12-09 — — US disclosed
US-8906902-B2 Antibacterial compounds BIOTA EUROPE LIMITED (GB) 2014-12-09 — — US disclosed
US-20130252938-A1 Antibacterial Compounds BIOTA EUROPE LTD. (GB) 2013-09-26 — — US disclosed
US-20130252938-A1 Antibacterial Compounds BIOTA EUROPE LTD. (GB) 2013-09-26 — — US disclosed
WO-2013138860-A1 ANTIBACTERIAL COMPOUNDS BIOTA EUROPE LIMITED (GB) 2013-09-26 — — WO disclosed
US-20130252938-A1 Antibacterial Compounds BIOTA EUROPE LTD. (GB) 2013-09-26 — — US disclosed
WO-2013138860-A1 ANTIBACTERIAL COMPOUNDS BIOTA EUROPE LIMITED (GB) 2013-09-26 — — 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 (4 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-20170260178-A1 ANTIBACTERIAL COMPOUNDS STS, PGLS, PEPD ABL1 1389/4885MAPK1 3098/4885AURKB 2786/4885
US-20150329530-A1 ANTIBACTERIAL COMPUNDS STS, PEPD, PGLS ABL1 1764/4885MAPK1 4052/4885AURKB 3404/4885
US-20170007615-A1 Antibacterial Compounds CLPP, MRPL21, RELA ABL1 294/4885MAPK1 2970/4885AURKB 1822/4885
US-20130252938-A1 Antibacterial Compounds STS, PGLS, PEPD ABL1 1389/4885MAPK1 3098/4885AURKB 2786/4885

“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.

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