SCHEMBL10128675

SCHEMBL10128675

CNC(=O)c1ccc(Nc2nc(NCC3(N)CCCCC3)[nH]c(=O)c2C(N)=O)cc1C

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SYK P43405 7/20 0.38
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
JAK1 P23458 4/20 0.34
JAK2 O60674 3/20 0.34
TYK2 P29597 1/20 0.34
KCNH2 Q12809 2/20 0.33
BCDIN3D Q7Z5W3 1/20 0.31
PTK2 Q05397 1/20 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
SCHEMBL16305358 0.93 SYK (0.38) SYKMEN1KMT2A
SCHEMBL10128414 0.91 SYK (0.38) SYKMEN1KMT2AKCNH2BCDIN3D
SCHEMBL10156808 0.90 SYK (0.42) SYKMEN1KMT2ABCDIN3D
SCHEMBL16305357 0.89 SYK (0.38) SYKBCDIN3D
SCHEMBL10157288 0.89 SYK (0.38) SYKKCNH2BCDIN3D
SCHEMBL10158145 0.89 SYK (0.36) SYKBCDIN3DPTK2
SCHEMBL10128669 0.89 JAK1 (0.42) SYKJAK1JAK2
SCHEMBL283768 0.86 SYK (0.39) SYKBCDIN3D
SCHEMBL10128744 0.85 SYK (0.38) SYKMEN1KMT2AJAK1JAK2
SCHEMBL10158120 0.85 MAPK14 (0.37) SYK

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 2200/4885MEN1 724/4885KMT2A 103/4885
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 SYK 2200/4885MEN1 724/4885KMT2A 103/4885

“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.