SCHEMBL10128020

SCHEMBL10128020

CC(C)c1nc(C(N)=O)c(Nc2ccc(N3CCN(C)CC3)cc2)nc1Cl

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RET P07949 12/20 0.69
ROS1 P08922 12/20 0.69
FLT3 P36888 12/20 0.69
EML4 Q9HC35 8/20 0.69
ALK Q9UM73 8/20 0.69
EGFR P00533 2/20 0.61
SLC2A1 P11166 1/20 0.52
CCND3 P30281 2/20 0.48
CDK6 Q00534 2/20 0.48
AURKA O14965 1/20 0.48
CDK4 P11802 1/20 0.48
CCNA2 P20248 1/20 0.48
CDK2 P24941 1/20 0.48
CDK9 P50750 2/20 0.48
CCNT1 O60563 1/20 0.48
CCNK O75909 1/20 0.48
TNIK Q9UKE5 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
SCHEMBL16196151 0.91 RET (0.75) RETROS1FLT3EML4ALK
SCHEMBL10127384 0.85 RET (0.54) RETROS1FLT3EML4ALK
SCHEMBL10127376 0.85 EML4 (0.67) RETROS1FLT3EML4ALK
SCHEMBL282875 0.85 RET (0.55) RETROS1FLT3EML4ALK
SCHEMBL10128027 0.85 EML4 (0.58) RETROS1FLT3EML4ALK
SCHEMBL10128105 0.84 FLT3 (0.57) RETROS1FLT3EML4ALK
SCHEMBL17340341 0.83 RET (0.53) RETROS1FLT3EML4ALK
SCHEMBL282995 0.83 EML4 (0.71) RETROS1FLT3EML4ALK
SCHEMBL282669 0.82 RET (1.00) RETROS1FLT3EML4ALK
SCHEMBL282668 0.82 RET (1.00) 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.