SCHEMBL10126641

SCHEMBL10126641

CCc1nc(C(N)=O)c(Nc2ccc(C(=O)N3CCCCC3)c(C)c2)nc1Cl

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EML4 Q9HC35 9/20 0.45
ALK Q9UM73 9/20 0.45
RET P07949 6/20 0.43
ROS1 P08922 6/20 0.43
FLT3 P36888 6/20 0.43
EGFR P00533 3/20 0.42
AXL P30530 2/20 0.42
LCK P06239 1/20 0.42
JAK3 P52333 1/20 0.42
BTK Q06187 1/20 0.42
ETV6 P41212 1/20 0.42
F10 P00742 1/20 0.42
CNR2 P34972 2/20 0.41
CNR1 P21554 1/20 0.41
JAK2 O60674 2/20 0.41
JAK1 P23458 2/20 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
SCHEMBL10156548 0.87 ALK (0.48) EML4ALKRETROS1FLT3
SCHEMBL10128831 0.83 ALK (0.68) EML4ALKRETROS1FLT3
SCHEMBL10126643 0.82 EML4 (0.43) EML4ALKRETROS1FLT3
SCHEMBL10126731 0.81 MAPT (0.47) EML4ALKRETROS1FLT3
SCHEMBL10129179 0.81 EML4 (0.69) EML4ALKRETROS1FLT3
SCHEMBL10129126 0.81 EML4 (0.69) EML4ALKRETROS1FLT3
SCHEMBL328277 0.80 CNR2 (0.43) BTKF10CNR2CNR1JAK2
SCHEMBL17340282 0.80 ALK (0.46) EML4ALKRETROS1FLT3
SCHEMBL10126730 0.80 ALK (0.41) EML4ALKRETROS1FLT3
SCHEMBL10127449 0.79 RET (0.55) EML4ALKRETROS1FLT3

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 2/4885RET 4/4885
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 EML4 1/4885ALK 2/4885RET 4/4885

“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.