SCHEMBL1028879

SCHEMBL1028879

O=C(O)Nc1cc([N+](=O)[O-])cc(I)c1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.62
MEN1 O00255 4/20 0.62
HTT P42858 3/20 0.62
LMNA P02545 1/20 0.62
AKR1B1 P15121 1/20 0.47
PDPK1 O15530 1/20 0.42
CYTH3 O43739 1/20 0.42
AKT1 P31749 1/20 0.42
PABPC1 P11940 1/20 0.41
DUSP3 P51452 1/20 0.41
PTPN5 P54829 1/20 0.41
PTPN11 Q06124 1/20 0.41
EIF4H Q15056 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
CXCR1 P25024 1/20 0.40
CXCR2 P25025 1/20 0.40
KCNMA1 Q12791 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL1028878 1.00 KMT2A (0.62) KMT2AMEN1HTTLMNAAKR1B1
SCHEMBL9360223 0.81 PDPK1 (0.61) KMT2AMEN1HTTLMNAAKR1B1
SCHEMBL1026631 0.79 MAPT (0.50) KMT2AMEN1HTTLMNAPABPC1
SCHEMBL1026633 0.79 MAPT (0.50) KMT2AMEN1HTTLMNAPABPC1
SCHEMBL13623296 0.79 HTT (0.55) KMT2AMEN1HTTLMNAAKR1B1
SCHEMBL205059 0.78 MEN1 (1.00) KMT2AMEN1HTTLMNASMN1; SMN2
SCHEMBL12095462 0.77 MEN1 (0.95) KMT2AMEN1HTTLMNASMN1; SMN2
SCHEMBL12933087 0.75 MEN1 (0.84) KMT2AMEN1HTTLMNASMN1; SMN2
SCHEMBL29173960 0.75 KMT2A (0.69) KMT2AMEN1HTTLMNAAKR1B1
SCHEMBL1024223 0.73 CXCR2 (0.68) KMT2AMEN1HTTLMNAPDPK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8871753-B2 Macrocyclic compounds and their use as kinase inhibitors INCYTE CORPORATION (US) 2014-10-28 US disclosed
EP-2274288-A2 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS Incyte Corporation (US) 2011-01-19 EP disclosed
US-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-11-19 US disclosed
WO-2009132202-A2 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-10-29 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 (1 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-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS JAK2, JAK1, ALK KMT2A 382/4885MEN1 1321/4885HTT 2476/4885

“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.