SCHEMBL10158246

SCHEMBL10158246

C=C(C)c1nc(C(N)=O)c(Nc2ccc(N3CCC(N4CCN(C)CC4)CC3)c(C(F)(F)F)c2)nc1N[C@H]1CC[C@H](O)CC1

nearest known ligand 0.82

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 15/20 0.82
EML4 Q9HC35 14/20 0.82
RET P07949 11/20 0.82
ROS1 P08922 11/20 0.82
FLT3 P36888 11/20 0.82

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
SCHEMBL282770 0.90 ALK (1.00) ALKEML4RETROS1FLT3
SCHEMBL282771 0.90 ALK (1.00) ALKEML4RETROS1FLT3
SCHEMBL10129355 0.90 EML4 (0.82) ALKEML4RETROS1FLT3
SCHEMBL282586 0.89 RET (1.00) ALKEML4RETROS1FLT3
SCHEMBL282587 0.89 RET (1.00) ALKEML4RETROS1FLT3
SCHEMBL282488 0.87 ALK (0.65) ALKEML4RETROS1FLT3
SCHEMBL10158268 0.84 ALK (0.89) ALKEML4RETROS1FLT3
SCHEMBL282652 0.84 ALK (1.00) ALKEML4RETROS1FLT3
SCHEMBL282653 0.84 ALK (1.00) ALKEML4RETROS1FLT3
SCHEMBL10129357 0.83 EML4 (0.70) ALKEML4RETROS1FLT3

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 4 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-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 (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 ALK 2/4885EML4 1/4885RET 4/4885
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 ALK 2/4885EML4 1/4885RET 4/4885

“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.