Sugi Predict

Sugi Predict / Compounds / SCHEMBL10128030

SCHEMBL10128030

SCHEMBL10128030

C=C(C)c1nc(C(N)=O)c(Nc2ccc(N3CCC(N4CCN(C)CC4)CC3)cc2)nc1Cl

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 14/20 0.61
▸ ROS1 P08922 14/20 0.61
▸ FLT3 P36888 14/20 0.61
▸ EML4 Q9HC35 13/20 0.61
▸ ALK Q9UM73 13/20 0.61
▸ EGFR P00533 4/20 0.59
▸ BMPR1B O00238 1/20 0.47
▸ PLK4 O00444 1/20 0.47
▸ CIT O14578 1/20 0.47
▸ AURKA O14965 1/20 0.47
▸ GAK O14976 1/20 0.47
▸ EPHB6 O15197 1/20 0.47
▸ RIPK2 O43353 1/20 0.47
▸ BUB1 O43683 1/20 0.47
▸ SNRNP200 O75643 1/20 0.47
▸ STK16 O75716 1/20 0.47
▸ STK10 O94804 1/20 0.47
▸ MAP4K4 O95819 1/20 0.47
▸ LATS1 O95835 1/20 0.47
▸ SLC25A5 P05141 1/20 0.47

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
SCHEMBL282875 0.91 RET (0.55) RETROS1FLT3EML4ALK
SCHEMBL25562764 0.89 RET (0.63) RETROS1FLT3EML4ALK
SCHEMBL16196151 0.87 RET (0.75) RETROS1FLT3EML4ALK
SCHEMBL10127391 0.87 RET (0.73) RETROS1FLT3EML4ALK
SCHEMBL16195981 0.87 EGFR (0.64) RETROS1FLT3EML4ALK
SCHEMBL10127497 0.87 EML4 (0.71) RETROS1FLT3EML4ALK
SCHEMBL25252177 0.86 RET (0.59) RETROS1FLT3EML4ALK
SCHEMBL10128031 0.86 RET (0.61) RETROS1FLT3EML4ALK
SCHEMBL25562774 0.85 RET (0.59) RETROS1FLT3EML4ALK
SCHEMBL10129880 0.85 RET (0.79) RETROS1FLT3EML4ALK

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 9 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
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 RET 4/4885ROS1 401/4885FLT3 5/4885
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 RET 4/4885ROS1 401/4885FLT3 5/4885

“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.