SCHEMBL1024857

SCHEMBL1024857

C#Cc1cncc(N(C(=O)O)C(C)(C)C)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
GRM5 P41594 2/20 0.32
CYP2A6 P11509 1/20 0.32
DYRK1A Q13627 1/20 0.32
CHRNA1 P02708 3/20 0.31
CHRNB4 P30926 3/20 0.31
CHRNA3 P32297 3/20 0.31
CHRNB2 P17787 2/20 0.31
CHRNA4 P43681 2/20 0.31
CHRNG P07510 1/20 0.31
CHRNB1 P11230 1/20 0.31
CHRND Q07001 1/20 0.31
CHRNA2 Q15822 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31

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
SCHEMBL1024856 0.81 GRM5 (0.34) KDM4EMEN1ALDH1A1KMT2AGRM5
SCHEMBL3586959 0.78 GRM5 (0.40) KDM4EMEN1ALDH1A1KMT2AGRM5
SCHEMBL19282553 0.78 HCAR2 (0.46) KDM4EMEN1ALDH1A1KMT2A
SCHEMBL1532886 0.78 KDM4E (0.39) KDM4EMEN1ALDH1A1KMT2A
SCHEMBL1025566 0.77 FFAR1 (0.40) MEN1KMT2A
SCHEMBL3576453 0.76 KDM4E (0.38) KDM4EMEN1ALDH1A1KMT2A
SCHEMBL20608764 0.76 HCAR2 (0.44) KDM4EMEN1ALDH1A1KMT2AGRM5
SCHEMBL1025623 0.76 POLB (0.44) KDM4EMEN1ALDH1A1KMT2A
SCHEMBL244150 0.76 PTPN1 (0.35) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL1024630 0.75 FFAR1 (0.43) ALDH1A1GRM5PTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110251215-A9 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2011-10-13 US disclosed
EP-2274288-A2 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS Incyte Corporation (US) 2011-01-19 EP 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-20110251215-A9 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS JAK2, JAK1, ALK KDM4E 248/4885MEN1 1321/4885ALDH1A1 2511/4885

“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.