SCHEMBL10126767

SCHEMBL10126767

CCc1nc(C(N)=O)c(Nc2ccc(N3CCOCC3)nc2)nc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EML4 Q9HC35 5/20 0.53
ALK Q9UM73 5/20 0.53
BTK Q06187 2/20 0.51
MAPT P10636 2/20 0.48
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
DGAT1 O75907 3/20 0.47
KCNH2 Q12809 1/20 0.47
RAB9A P51151 1/20 0.46
CYP1A2 P05177 2/20 0.45
CYP2C19 P33261 1/20 0.45
RET P07949 3/20 0.45
ROS1 P08922 3/20 0.45
FLT3 P36888 3/20 0.45
IRAK4 Q9NWZ3 1/20 0.45
AXL P30530 1/20 0.44
ETV6 P41212 1/20 0.44
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43

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
SCHEMBL10127370 0.90 SYK (0.51) EML4ALKBTKKCNH2RET
SCHEMBL10126758 0.89 EML4 (0.51) EML4ALKRAB9ARETROS1
SCHEMBL17340311 0.89 SYK (0.50) EML4ALKBTKKCNH2RET
SCHEMBL10126777 0.87 EML4 (0.67) EML4ALKRETROS1FLT3
SCHEMBL10126762 0.83 EML4 (0.58) EML4ALKRETROS1FLT3
SCHEMBL10129290 0.82 ALK (0.80) EML4ALKRETROS1FLT3
SCHEMBL16206831 0.82 EML4 (0.60) EML4ALKRETROS1FLT3
SCHEMBL16195714 0.81 FLT3 (0.66) EML4ALKHTTRETROS1
SCHEMBL10129204 0.81 SYK (0.54) EML4ALKBTKKCNH2RET
SCHEMBL10129333 0.80 BTK (0.56) EML4ALKBTKKCNH2RAB9A

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 8 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-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-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-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
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 2/4885BTK 1252/4885
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 EML4 1/4885ALK 2/4885BTK 1252/4885

“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.