Sugi Predict

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SCHEMBL10158018

SCHEMBL10158018

CCc1nc(C(N)=O)c(Nc2ccc(N3CCC(N4CCN(C)CC4)CC3)c(OC)c2)nc1Cl

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EML4 Q9HC35 15/20 0.76
▸ ALK Q9UM73 15/20 0.76
▸ FLT3 P36888 11/20 0.75
▸ RET P07949 9/20 0.75
▸ ROS1 P08922 9/20 0.75
▸ EGFR P00533 2/20 0.75
▸ BMPR1B O00238 1/20 0.75
▸ PLK4 O00444 1/20 0.75
▸ CIT O14578 1/20 0.75
▸ AURKA O14965 1/20 0.75
▸ GAK O14976 1/20 0.75
▸ EPHB6 O15197 1/20 0.75
▸ RIPK2 O43353 1/20 0.75
▸ BUB1 O43683 1/20 0.75
▸ SNRNP200 O75643 1/20 0.75
▸ STK16 O75716 1/20 0.75
▸ STK10 O94804 1/20 0.75
▸ MAP4K4 O95819 1/20 0.75
▸ LATS1 O95835 1/20 0.75
▸ SLC25A5 P05141 1/20 0.75

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
SCHEMBL16305332 0.94 EML4 (0.67) EML4ALKFLT3RETROS1
SCHEMBL16303871 0.93 EML4 (0.76) EML4ALKFLT3RETROS1
SCHEMBL10156136 0.92 EML4 (0.71) EML4ALKFLT3RETROS1
SCHEMBL10156831 0.92 EML4 (0.66) EML4ALKFLT3RETROS1
SCHEMBL10128011 0.92 EML4 (0.68) EML4ALKFLT3RETROS1
SCHEMBL10126778 0.90 EML4 (0.78) EML4ALKFLT3RETROS1
SCHEMBL17340303 0.88 EML4 (0.65) EML4ALKFLT3RETROS1
SCHEMBL10127855 0.88 EML4 (0.69) EML4ALKFLT3RETROS1
SCHEMBL10126978 0.87 EML4 (0.64) EML4ALKFLT3RETROS1
SCHEMBL16207280 0.87 EML4 (0.71) EML4ALKFLT3RETROS1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230138863-A1 SUBSTITUTED DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND AND A COMPOSITION CONTAINING THE COMPOUND AND USE THEREOF SHENZHEN TARGETRX, INC. (CN) 2023-05-04 — — 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 2/4885FLT3 5/4885
US-20230138863-A1 SUBSTITUTED DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND AND A COMPOSITION CONTAINING THE COMPOUND AND USE THEREOF FLT3, AXL, ABL1 EML4 1217/4885ALK 14/4885FLT3 1/4885
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 EML4 1/4885ALK 2/4885FLT3 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.