SCHEMBL10128744

SCHEMBL10128744

Cc1cc(Nc2nc(NCC3(N)CCCCC3)[nH]c(=O)c2C(N)=O)ccc1S(C)(=O)=O

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SYK P43405 4/20 0.38
ALDH1A1 P00352 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
JAK2 O60674 3/20 0.34
JAK1 P23458 3/20 0.34
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
PDE4B Q07343 1/20 0.32
KCNH2 Q12809 1/20 0.32
BCDIN3D Q7Z5W3 2/20 0.31

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
SCHEMBL10128745 0.91 MAPT (0.41) SYKALDH1A1JAK2JAK1MAPT
SCHEMBL10128490 0.91 SYK (0.38) SYKJAK2JAK1MAPTTHRB
SCHEMBL10128219 0.87 JAK2 (0.43) SYKJAK2JAK1
SCHEMBL10128214 0.86 EML4 (0.43) SYKJAK2JAK1PDE4BBCDIN3D
SCHEMBL10128675 0.85 SYK (0.38) SYKMEN1KMT2AJAK2JAK1
SCHEMBL10128669 0.84 JAK1 (0.42) SYKJAK2JAK1
SCHEMBL10128441 0.83 SYK (0.35) SYKALDH1A1KMT2AJAK2JAK1
SCHEMBL16305358 0.83 SYK (0.38) SYKMEN1KMT2A
SCHEMBL10157286 0.83 SYK (0.41) SYKKMT2AMAPTBCDIN3D
SCHEMBL10128304 0.83 SYK (0.40) SYKMEN1KMT2ABCDIN3D

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 SYK 2200/4885ALDH1A1 1554/4885MEN1 724/4885
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 SYK 2200/4885ALDH1A1 1554/4885MEN1 724/4885

“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.