SCHEMBL1024609

SCHEMBL1024609

O=C(O)Nc1ccnc(/C=C\c2cccc(Nc3nc(Cl)ncc3Cl)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
KMT2A Q03164 1/20 0.49
EGFR P00533 12/20 0.47
BTK Q06187 4/20 0.39
HCRTR1 O43613 1/20 0.39
RHOA P61586 1/20 0.37

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
SCHEMBL1024611 1.00 MEN1 (0.49) MEN1NPC1RAB9AKMT2AEGFR
SCHEMBL1026297 0.86 MEN1 (0.44) MEN1NPC1RAB9AKMT2AEGFR
SCHEMBL13623039 0.86 MEN1 (0.44) MEN1NPC1RAB9AKMT2AEGFR
SCHEMBL4339317 0.85 EGFR (0.46) MEN1NPC1RAB9AKMT2AEGFR
SCHEMBL4339321 0.85 EGFR (0.46) MEN1NPC1RAB9AKMT2AEGFR
SCHEMBL13623042 0.83 BCL6 (0.42) MEN1NPC1RAB9AKMT2AEGFR
Hydrochloric Acid SCHEMBL1025138 0.83 BCL6 (0.41) MEN1NPC1RAB9AKMT2AEGFR
Hydrochloric Acid SCHEMBL1025140 0.83 BCL6 (0.41) MEN1NPC1RAB9AKMT2AEGFR
SCHEMBL4333118 0.82 MEN1 (0.43) MEN1NPC1RAB9AKMT2AEGFR
SCHEMBL4333125 0.82 MEN1 (0.43) MEN1NPC1RAB9AKMT2AEGFR

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 3 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

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 MEN1 1321/4885NPC1 2849/4885RAB9A 1998/4885

“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.