SCHEMBL1027667

SCHEMBL1027667

Nc1ccc(N2CCOCC2)c(CCc2cccc(NC(=O)O)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
KDM4E B2RXH2 3/20 0.43
GAA P10253 2/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
TP53 P04637 1/20 0.43
RAF1 P04049 1/20 0.42
BRAF P15056 1/20 0.42
MAPT P10636 3/20 0.41
POLB P06746 1/20 0.41
LMNA P02545 4/20 0.41
HTR1A P08908 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
SCHEMBL13623214 0.86 AKT1 (0.49) ALDH1A1CYP3A4CYP2C19KDM4EGAA
SCHEMBL13670051 0.81 MAPT (0.48) ALDH1A1KDM4EGAAHTTSMN1; SMN2
SCHEMBL1023637 0.80 KMT2A (0.46) ALDH1A1CYP1A2CYP3A4CYP2C19SMN1; SMN2
SCHEMBL1025252 0.79 ALDH1A1 (0.39) ALDH1A1CYP1A2CYP3A4CYP2C19KDM4E
SCHEMBL4336117 0.79 JAK3 (0.51)
SCHEMBL1075504 0.76 MEN1 (0.39) ALDH1A1CYP1A2CYP3A4CYP2C19KDM4E
SCHEMBL13623217 0.75 HTR1A (0.42) ALDH1A1CYP3A4CYP2C19KDM4EGAA
SCHEMBL4334746 0.75 MAOA (0.58) ALDH1A1GAASMN1; SMN2NPC1RAB9A
SCHEMBL4354851 0.74 USP30 (0.44) CYP3A4CYP2C19HTR1ADRD2
SCHEMBL24630249 0.73 MAPT (0.61) ALDH1A1KDM4EGAASMN1; SMN2MEN1

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 ALDH1A1 2511/4885CYP1A2 3183/4885CYP3A4 3025/4885

“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.