SCHEMBL10127336

SCHEMBL10127336

CCc1nc(C(N)=O)c(Nc2ccc3cccnc3c2)nc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.45
LCK P06239 1/20 0.44
BTK Q06187 1/20 0.44
P2RY14 Q15391 2/20 0.41
EML4 Q9HC35 4/20 0.41
ALK Q9UM73 4/20 0.41
NOTUM Q6P988 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
TRPV1 Q8NER1 2/20 0.39
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
AHR P35869 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ASIC3 Q9UHC3 1/20 0.38
TNIK Q9UKE5 1/20 0.38
GRM4 Q14833 1/20 0.38
BAZ1A Q9NRL2 1/20 0.38

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
SCHEMBL10127321 0.92 SYK (0.54) SYKBTKMEN1KMT2ANPC1
SCHEMBL10126740 0.81 SYK (0.46) SYKEML4ALKMEN1KMT2A
SCHEMBL10157692 0.80 EML4 (0.41) SYKEML4ALK
SCHEMBL10129162 0.80 ALK (0.67) EML4ALK
SCHEMBL10127177 0.79 FLT4 (0.42) EML4ALKMEN1KMT2A
SCHEMBL10127274 0.79 MAPKAPK2 (0.43) EML4ALKMEN1KMT2AHDAC6
SCHEMBL10127286 0.78 MAPT (0.45) SYKEML4ALKMEN1KMT2A
SCHEMBL10126743 0.78 MAPT (0.45) MEN1KMT2ANPC1MAPTRAB9A
SCHEMBL10126696 0.78 SYK (0.50) SYKBTKMEN1KMT2ANPC1
SCHEMBL328322 0.78 PRKCQ (0.48) SYKEML4ALK

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 SYK 2200/4885LCK 353/4885BTK 1252/4885
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 SYK 2200/4885LCK 353/4885BTK 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.