Sugi Predict

Sugi Predict / Compounds / SCHEMBL10128802

SCHEMBL10128802

SCHEMBL10128802

NC(=O)c1c(Nc2cnc(Cl)c(C(F)(F)F)c2)nc(NCC2(N)CCCCC2)[nH]c1=O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 3/20 0.38
▸ BCDIN3D Q7Z5W3 8/20 0.34
▸ KCNH2 Q12809 1/20 0.33
▸ JAK3 P52333 3/20 0.32
▸ FLT3 P36888 2/20 0.32
▸ CACNA1G O43497 1/20 0.31
▸ CACNA1H O95180 1/20 0.31
▸ CACNA1B Q00975 1/20 0.31
▸ CACNA1C Q13936 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ CNR2 P34972 1/20 0.30

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
SCHEMBL10156865 0.84 BCDIN3D (0.50) SYKBCDIN3DFLT3
SCHEMBL10128332 0.83 SYK (0.39) SYKBCDIN3DKCNH2
SCHEMBL10128519 0.83 SYK (0.39) SYKBCDIN3DKCNH2
SCHEMBL10128607 0.82 SYK (0.35) SYKKCNH2
SCHEMBL10158145 0.82 SYK (0.36) SYKBCDIN3D
SCHEMBL10128344 0.81 SYK (0.40) SYKBCDIN3DCACNA1GCACNA1HCACNA1B
SCHEMBL16305349 0.81 LCK (0.36) SYKBCDIN3DJAK3CACNA1B
SCHEMBL10128422 0.81 RAB9A (0.40) SYKALDH1A1CNR2
SCHEMBL10128653 0.80 SYK (0.39) SYKBCDIN3DKCNH2
SCHEMBL10128642 0.79 SYK (0.39) SYKBCDIN3DKCNH2

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 2200/4885BCDIN3D 274/4885KCNH2 2712/4885
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 SYK 2200/4885BCDIN3D 274/4885KCNH2 2712/4885

“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.