SCHEMBL10158286

SCHEMBL10158286

CCc1nc(C(N)=O)c(Nc2ccc(C3CCN(C4CCN(C)CC4)CC3)c(OC)c2)nc1N[C@H]1CC[C@H](O)CC1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EML4 Q9HC35 14/20 0.78
ALK Q9UM73 14/20 0.78
FLT3 P36888 10/20 0.68
RET P07949 9/20 0.68
ROS1 P08922 9/20 0.68
AXL P30530 2/20 0.66
ETV6 P41212 2/20 0.66
BMPR1B O00238 1/20 0.66
PLK4 O00444 1/20 0.66
CIT O14578 1/20 0.66
AURKA O14965 1/20 0.66
GAK O14976 1/20 0.66
EPHB6 O15197 1/20 0.66
RIPK2 O43353 1/20 0.66
BUB1 O43683 1/20 0.66
SNRNP200 O75643 1/20 0.66
STK16 O75716 1/20 0.66
STK10 O94804 1/20 0.66
MAP4K4 O95819 1/20 0.66
LATS1 O95835 1/20 0.66

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
SCHEMBL10157553 0.95 EML4 (0.79) EML4ALKFLT3RETROS1
SCHEMBL10157465 0.94 ALK (0.76) EML4ALKFLT3RETROS1
SCHEMBL10129514 0.90 EML4 (0.77) EML4ALKFLT3RETROS1
SCHEMBL10156920 0.89 EML4 (0.79) EML4ALKFLT3RETROS1
SCHEMBL10129576 0.89 EML4 (0.75) EML4ALKFLT3RETROS1
SCHEMBL282491 0.88 ALK (1.00) EML4ALKFLT3RETROS1
SCHEMBL282490 0.88 ALK (1.00) EML4ALKFLT3RETROS1
SCHEMBL10156727 0.87 EML4 (0.59) EML4ALKFLT3RETROS1
SCHEMBL10129564 0.86 ALK (0.73) EML4ALKFLT3RETROS1
SCHEMBL283492 0.86 ALK (0.67) EML4ALKFLT3RETROS1

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-9487491-B2 Diamino heterocyclic carboxamide compound ASTELLAS PHARMA INC. (JP) 2016-11-08 US disclosed
US-8969336-B2 Diamino heterocyclic carboxamide compound ASTELLAS PHARMA INC. (JP) 2015-03-03 US disclosed
US-20140371196-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2014-12-18 US disclosed
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND WATERS TECHNOLOGIES CORPORATION (US) 2012-02-16 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 (2 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-20140371196-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 EML4 1/4885ALK 2/4885FLT3 5/4885
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 EML4 1/4885ALK 2/4885FLT3 5/4885

“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.