SCHEMBL10129861

SCHEMBL10129861

Cc1cc(Nc2nc(NC3CCOCC3)c(C(C)C)nc2C(N)=O)ccc1N1CCN(C)CC1

nearest known ligand 0.81

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RET P07949 16/20 0.81
ROS1 P08922 16/20 0.81
FLT3 P36888 16/20 0.81
EML4 Q9HC35 13/20 0.81
ALK Q9UM73 13/20 0.81

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
SCHEMBL10129870 0.94 RET (0.80) RETROS1FLT3EML4ALK
SCHEMBL10129867 0.91 RET (0.80) RETROS1FLT3EML4ALK
SCHEMBL282319 0.90 FLT3 (1.00) RETROS1FLT3EML4ALK
SCHEMBL282757 0.88 RET (1.00) RETROS1FLT3EML4ALK
SCHEMBL10129842 0.88 EML4 (0.88) RETROS1FLT3EML4ALK
SCHEMBL25562090 0.86 EML4 (0.68) RETROS1FLT3EML4ALK
SCHEMBL10129881 0.86 RET (0.75) RETROS1FLT3EML4ALK
SCHEMBL10129364 0.85 EML4 (0.82) RETROS1FLT3EML4ALK
SCHEMBL10035913 0.85 EML4 (0.80) RETROS1FLT3EML4ALK
SCHEMBL25562202 0.84 EML4 (0.66) 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 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 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.