SCHEMBL2038848

SCHEMBL2038848

COc1ccc2ncc(N)c(O)c2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 6/20 0.41
PIK3CD O00329 1/20 0.40
PIP5K1C O60331 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
PI4KA P42356 1/20 0.40
PIK3CG P48736 1/20 0.40
PI4KB Q9UBF8 1/20 0.40
EGFR P00533 1/20 0.39
PDGFRB P09619 2/20 0.37
PDGFRA P16234 2/20 0.37
ERN1 O75460 3/20 0.36
NNMT P40261 2/20 0.36
DYRK3 O43781 1/20 0.35
CCNT1 O60563 1/20 0.35
CDK9 P50750 1/20 0.35
DYRK1A Q13627 1/20 0.35
DYRK2 Q92630 1/20 0.35
DYRK1B Q9Y463 1/20 0.35
HSD17B1 P14061 1/20 0.35

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
SCHEMBL15981926 0.82 MAP4K4 (0.42) MAP4K4PIK3CDPIP5K1CPIK3CAPIK3CB
SCHEMBL2038287 0.81 MAP4K4 (0.41) MAP4K4PIK3CDPIP5K1CPIK3CAPIK3CB
SCHEMBL29692824 0.81 KCNH2 (0.36) MAP4K4EGFRPDGFRBPDGFRA
SCHEMBL621649 0.81 EGFR (0.41) MAP4K4EGFRPDGFRBPDGFRAERN1
SCHEMBL2490082 0.81 ERN1 (0.44) PDGFRBPDGFRAERN1
SCHEMBL2770307 0.81 KCNH2 (0.36) MAP4K4EGFRPDGFRBPDGFRA
SCHEMBL4507986 0.81 MAP4K4 (0.41) MAP4K4PIK3CDPIP5K1CPIK3CAPIK3CB
SCHEMBL29692876 0.81 ERN1 (0.44) PDGFRBPDGFRAERN1
SCHEMBL2949290 0.81 MAP4K4 (0.41) MAP4K4PIK3CDPIP5K1CPIK3CAPIK3CB
SCHEMBL15130425 0.77 POLB (0.40) PIK3CGNNMTALDH1A1F2GLA

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
US-9120822-B2 Tricyclic antibiotics BASILEA PHARMACEUTICA AG (CH) 2015-09-01 US disclosed
US-20150072975-A1 TRICYCLIC ANTIBIOTICS BASILEA PHARMACEUTICA AG 2015-03-12 US disclosed
US-8927541-B2 Tricyclic antibiotics BASILEA PHARMACEUTICA AG (CH) 2015-01-06 US disclosed
EP-2513115-B1 TRICYCLIC ANTIBIOTICS BASILEA PHARMACEUTICA AG (CH) 2013-10-09 EP disclosed
EP-2513115-A1 TRICYCLIC ANTIBIOTICS Basilea Pharmaceutica AG (CH) 2012-10-24 EP disclosed
US-20120245345-A1 TRICYCLIC ANTIBIOTICS BASILEA PHARMACEUTICA AG (CH) 2012-09-27 US disclosed
WO-2011073378-A1 TRICYCLIC ANTIBIOTICS BASILEA PHARMACEUTICA AG (CH) 2011-06-23 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-20120245345-A1 TRICYCLIC ANTIBIOTICS CBR1, CBR3, C1S MAP4K4 4101/4885PIK3CD 4184/4885PIP5K1C 4186/4885
US-20150072975-A1 TRICYCLIC ANTIBIOTICS TREH, MRPL21, SPOUT1 MAP4K4 2825/4885PIK3CD 2904/4885PIP5K1C 2691/4885

“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.