SCHEMBL13633156

SCHEMBL13633156

Cc1cnc2nc1Nc1ccc(NC(=O)CC3CCN(C(=O)c4cnccn4)CC3)c(c1)CCc1cccc(c1)N2

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 4/20 0.40
JAK2 O60674 1/20 0.38
CHRM2 P08172 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP3A4 P08684 4/20 0.33
TACR2 P21452 1/20 0.33
TACR1 P25103 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
CYP1A2 P05177 3/20 0.33
GAA P10253 1/20 0.33
MAPK1 P28482 1/20 0.32
LMNA P02545 1/20 0.32
NAMPT P43490 1/20 0.32

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
SCHEMBL13633159 0.93 JAK2 (0.34) ALKJAK2CHRM2MEN1KMT2A
SCHEMBL1078600 0.92 ALK (0.48) ALKJAK2
SCHEMBL13633000 0.91 ALK (0.41) ALKJAK2TACR2TACR1
SCHEMBL13633163 0.91 ALK (0.40) ALKJAK2CYP3A4TACR2TACR1
SCHEMBL4357170 0.89 ALK (0.40) ALKJAK2MEN1KMT2ATACR2
SCHEMBL13632985 0.89 ALK (0.44) ALKJAK2TACR2TACR1CYP2C19
Trifluoroacetic Acid SCHEMBL4359588 0.88 ALK (0.45) ALKJAK2CYP3A4ALDH1A1TSHR
SCHEMBL13633104 0.87 ALK (0.43) ALKJAK2CYP3A4TACR2TACR1
SCHEMBL13633002 0.87 ALK (0.40) ALKJAK2TACR2TACR1
SCHEMBL13632928 0.87 ALK (0.42) ALKJAK2TACR2TACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ALK 3/4885JAK2 1/4885CHRM2 4805/4885

“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.