Sugi Predict

Sugi Predict / Compounds / SCHEMBL10128611

SCHEMBL10128611

SCHEMBL10128611

CS(=O)(=O)c1cccc(Nc2nc(N[C@H]3CC[C@H](O)CC3)[nH]c(=O)c2C(N)=O)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EML4 Q9HC35 4/20 0.61
▸ ALK Q9UM73 4/20 0.61
▸ SYK P43405 5/20 0.46
▸ CAMK1D Q8IU85 2/20 0.42
▸ MAPK8 P45983 1/20 0.41
▸ MAPK9 P45984 1/20 0.41
▸ PDE4B Q07343 1/20 0.39
▸ CREBBP Q92793 2/20 0.38
▸ BRD4 O60885 1/20 0.38
▸ JAK1 P23458 1/20 0.38
▸ JAK3 P52333 1/20 0.38
▸ ROCK1 Q13464 1/20 0.37
▸ IRAK4 Q9NWZ3 1/20 0.37
▸ CCNB2 O95067 1/20 0.36
▸ CCNE2 O96020 1/20 0.36
▸ CDK1 P06493 1/20 0.36
▸ CDK4 P11802 1/20 0.36
▸ CCNB1 P14635 1/20 0.36
▸ CCND1 P24385 1/20 0.36
▸ CCNE1 P24864 1/20 0.36

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
SCHEMBL10128224 0.85 SYK (0.65) ALKSYKCAMK1DJAK3ROCK1
SCHEMBL10272164 0.78 SYK (0.53) SYKCDK2
SCHEMBL2719063 0.77 SYK (0.58) SYKFER
SCHEMBL282919 0.77 EML4 (0.45) EML4ALKSYKCAMK1DPDE4B
SCHEMBL10128635 0.77 ALK (0.80) EML4ALKSYKCAMK1D
SCHEMBL282450 0.77 ALK (0.80) EML4ALKSYKCAMK1D
SCHEMBL282449 0.77 ALK (0.80) EML4ALKSYKCAMK1D
SCHEMBL10128261 0.77 EML4 (0.44) EML4ALKSYKCAMK1DPDE4B
SCHEMBL10128214 0.77 EML4 (0.43) EML4ALKSYKCAMK1DPDE4B
SCHEMBL283909 0.76 ALK (0.70) EML4ALKSYKCAMK1DMAPK8

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 EML4 1/4885ALK 2/4885SYK 2200/4885
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 EML4 1/4885ALK 2/4885SYK 2200/4885

“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.