SCHEMBL10128474

SCHEMBL10128474

Cc1ccc(C(=O)N2CCCCC2)cc1Nc1nc(NCC2(N)CCCCC2)[nH]c(=O)c1C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.41
TSHR P16473 1/20 0.41
POLB P06746 2/20 0.37
MAPT P10636 1/20 0.37
CNR2 P34972 1/20 0.36
ATM Q13315 1/20 0.36
BTK Q06187 1/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 1/20 0.35
FASN P49327 3/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
GFER P55789 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SYK P43405 1/20 0.34
MAPK14 Q16539 1/20 0.34
PLA2G7 Q13093 1/20 0.34

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
SCHEMBL10128395 0.95 KMT2A (0.39) HPGDTSHRKMT2AMEN1SYK
SCHEMBL10128401 0.90 SYK (0.36) MAPTKMT2AMEN1SMN1; SMN2SYK
SCHEMBL10158120 0.89 MAPK14 (0.37) SYKMAPK14
SCHEMBL16303172 0.87 MAPK14 (0.38) SYKMAPK14
SCHEMBL10156204 0.86 HPGD (0.37) HPGDKMT2AMEN1NPC1RAB9A
SCHEMBL10128669 0.85 JAK1 (0.42) SYK
SCHEMBL10128761 0.85 SYK (0.37) HPGDCNR2KMT2AMEN1SMN1; SMN2
SCHEMBL10128349 0.85 CAMK1D (0.43) TSHRKMT2ASYK
SCHEMBL10128465 0.84 KMT2A (0.43) POLBMAPTATMKMT2ANPC1
SCHEMBL10128441 0.84 SYK (0.35) POLBMAPTKMT2ASMN1; SMN2SYK

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 9 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
EP-3009428-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND Astellas Pharma Inc. (JP) 2016-04-20 EP 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 HPGD 4520/4885TSHR 3964/4885POLB 4590/4885
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 HPGD 4520/4885TSHR 3964/4885POLB 4590/4885

“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.