SCHEMBL328227

SCHEMBL328227

CS(=O)(=O)c1ccc(Nc2nc(Cl)cnc2C(N)=O)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 2/20 0.47
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
JAK3 P52333 8/20 0.39
JAK2 O60674 3/20 0.39
TYK2 P29597 3/20 0.39
JAK1 P23458 2/20 0.39
LCK P06239 5/20 0.38
BTK Q06187 5/20 0.38
EGFR P00533 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
ALK Q9UM73 2/20 0.37
CDC7 O00311 1/20 0.37
PLK4 O00444 1/20 0.37
CHEK1 O14757 1/20 0.37
PDPK1 O15530 1/20 0.37
DAPK3 O43293 1/20 0.37
DYRK3 O43781 1/20 0.37
ROCK2 O75116 1/20 0.37
RPS6KA5 O75582 1/20 0.37

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
SCHEMBL10127239 0.82 ALK (0.52) MEN1KMT2AJAK3JAK2TYK2
SCHEMBL17340305 0.81 BTK (0.37) JAK3JAK2TYK2LCKBTK
SCHEMBL16305339 0.81 ALK (0.50) JAK3JAK2TYK2LCKBTK
SCHEMBL10128931 0.79 ALK (0.52) GRM4JAK3JAK2TYK2JAK1
SCHEMBL31319583 0.78 MAPK8 (0.54) BTKEGFRCSF1RKDRMAPKAPK2
SCHEMBL6158479 0.76 MAPK1 (0.59) JAK3JAK2TYK2LCKBTK
SCHEMBL17689769 0.75 ALK (0.43) GRM4JAK3JAK2TYK2LCK
SCHEMBL17690594 0.75 ALK (0.43) GRM4JAK3JAK2TYK2LCK
SCHEMBL14955969 0.74 MKNK1 (0.53) JAK3JAK2JAK1EGFRROCK2
SCHEMBL328295 0.73 CA1 (0.44) GRM4MEN1KMT2ANPSR1MAPT

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 10 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
EP-2428508-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND Astellas Pharma Inc. (JP) 2012-03-14 EP 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
WO-2010128659-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND アステラス製薬株式会社 (JP) 2010-11-11 WO 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 GRM4 912/4885MEN1 724/4885KMT2A 103/4885
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 GRM4 912/4885MEN1 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.