SCHEMBL10126433

SCHEMBL10126433

CSc1nc(Nc2cc(C(=O)N3CCOCC3)ccc2C)c(C(N)=O)c(=O)[nH]1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.43
LRRK2 Q5S007 4/20 0.42
ALK Q9UM73 1/20 0.41
GAA P10253 1/20 0.40
JAK2 O60674 3/20 0.39
ALDH1A1 P00352 2/20 0.39
AR P10275 1/20 0.39
BRAF P15056 1/20 0.39
BRD4 O60885 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 1/20 0.38
KMT2A Q03164 1/20 0.38
RAB9A P51151 1/20 0.38
JAK1 P23458 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
SCHEMBL10126447 0.91 HPGD (0.41) HPGDALDH1A1ARSMN1; SMN2KMT2A
SCHEMBL10126439 0.83 MEN1 (0.37) GAAALDH1A1SMN1; SMN2KDM4EKMT2A
SCHEMBL10126434 0.82 HPGD (0.50) HPGDLRRK2ALKGAAJAK2
SCHEMBL10156444 0.81 MAPK14 (0.42)
SCHEMBL10128371 0.81 SYK (0.54) HPGDLRRK2ALK
SCHEMBL10128395 0.79 KMT2A (0.39) HPGDLRRK2ALKGAAJAK2
SCHEMBL10126553 0.78 EPHX2 (0.44) LRRK2JAK2SMN1; SMN2JAK1
SCHEMBL10156534 0.78 HPGD (0.39) HPGDGAAALDH1A1SMN1; SMN2KDM4E
SCHEMBL10127123 0.76 CAMK1D (0.46) HPGDALDH1A1KMT2A
SCHEMBL10126469 0.75 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2KDM4EKMT2A

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 HPGD 4520/4885LRRK2 2413/4885ALK 2/4885
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 HPGD 4520/4885LRRK2 2413/4885ALK 2/4885

“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.