SCHEMBL16581003

SCHEMBL16581003

C[C@@H]1CN(c2ccc(Nc3ncc4ccn(Cc5ccccc5OC(F)F)c4n3)cc2)CCN1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ STAT6 P42226 11/20 0.54
▸ ADRA2A P08913 1/20 0.44
▸ ADRA2B P18089 1/20 0.44
▸ ADRA2C P18825 1/20 0.44
▸ CDK4 P11802 2/20 0.42
▸ CCND1 P24385 1/20 0.42
▸ CDK6 Q00534 1/20 0.42
▸ FGFR4 P22455 3/20 0.41
▸ WEE1 P30291 2/20 0.41
▸ FGFR1 P11362 1/20 0.41
▸ FGFR2 P21802 1/20 0.41
▸ FGFR3 P22607 1/20 0.41
▸ AURKA O14965 1/20 0.41
▸ JAK3 P52333 1/20 0.40

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
SCHEMBL17958820 1.00 STAT6 (0.54) STAT6ADRA2AADRA2BADRA2CCDK4
SCHEMBL16570901 0.89 STAT6 (0.63) STAT6CDK4CCND1CDK6FGFR4
SCHEMBL17958809 0.82 STAT6 (0.51) STAT6ADRA2AADRA2BADRA2CCDK4
SCHEMBL16580878 0.82 STAT6 (0.51) STAT6ADRA2AADRA2BADRA2CCDK4
SCHEMBL17958750 0.82 STAT6 (0.53) STAT6ADRA2AADRA2BADRA2CFGFR4
SCHEMBL16570040 0.82 STAT6 (0.53) STAT6ADRA2AADRA2BADRA2CFGFR4
SCHEMBL16580727 0.82 STAT6 (0.52) STAT6ADRA2AADRA2BADRA2CCDK4
SCHEMBL16580921 0.81 STAT6 (0.52) STAT6ADRA2AADRA2BADRA2CCDK4
SCHEMBL16570396 0.81 STAT6 (0.52) STAT6ADRA2AADRA2BADRA2CFGFR4
SCHEMBL16580834 0.80 FGFR4 (0.47) STAT6CDK4FGFR4WEE1FGFR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160222014-A1 COMPOUNDS FOR REGULATING FAK AND/OR SRC PATHWAYS ASANA BIOSCIENCES, LLC (US) 2016-08-04 — — US claimed
US-20160222014-A1 COMPOUNDS FOR REGULATING FAK AND/OR SRC PATHWAYS ASANA BIOSCIENCES, LLC (US) 2016-08-04 — — US disclosed
WO-2015038417-A1 COMPOUNDS FOR REGULATING FAK AND/OR SRC PATHWAYS ASANA BIOSCIENCES, LLC (US) 2015-03-19 — — 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 (1 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-20160222014-A1 COMPOUNDS FOR REGULATING FAK AND/OR SRC PATHWAYS SRC, PTK2, FYN STAT6 103/4885ADRA2A 3261/4885ADRA2B 3569/4885

“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.

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