SCHEMBL16580765

SCHEMBL16580765

C[C@@H]1CN(c2ccc(Nc3ncc4ccn(Cc5cccnc5N(CCO)S(C)(=O)=O)c4n3)cc2)CCN1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STAT6 P42226 7/20 0.45
▸ WEE1 P30291 1/20 0.44
▸ JAK2 O60674 6/20 0.43
▸ JAK3 P52333 5/20 0.43
▸ PTK2 Q05397 2/20 0.43
▸ AURKA O14965 2/20 0.42
▸ CDK1 P06493 2/20 0.42
▸ CCNB1 P14635 2/20 0.42
▸ ADRA2A P08913 1/20 0.41
▸ ADRA2B P18089 1/20 0.41
▸ ADRA2C P18825 1/20 0.41
▸ BRD4 O60885 4/20 0.41
▸ FGFR1 P11362 1/20 0.40
▸ FGFR2 P21802 1/20 0.40
▸ FGFR4 P22455 1/20 0.40
▸ FGFR3 P22607 1/20 0.40
▸ JAK1 P23458 2/20 0.40
▸ BRD2 P25440 2/20 0.40
▸ BRD3 Q15059 2/20 0.40
▸ BRDT Q58F21 2/20 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
SCHEMBL16570185 1.00 STAT6 (0.45) STAT6WEE1JAK2JAK3PTK2
SCHEMBL16571207 0.91 STAT6 (0.53) STAT6JAK2JAK3PTK2BRD4
SCHEMBL16580997 0.90 STAT6 (0.48) STAT6WEE1JAK2JAK3AURKA
SCHEMBL16569859 0.90 PTK2 (0.51) STAT6WEE1JAK2JAK3PTK2
SCHEMBL16570019 0.90 PTK2 (0.51) STAT6WEE1JAK2JAK3PTK2
SCHEMBL16570619 0.90 PTK2 (0.51) STAT6WEE1JAK2JAK3PTK2
Hydrochloric Acid SCHEMBL16570527 0.89 PTK2 (0.50) STAT6WEE1JAK2JAK3PTK2
Hydrochloric Acid SCHEMBL17958814 0.89 PTK2 (0.50) STAT6WEE1JAK2JAK3PTK2
SCHEMBL16580760 0.88 STAT6 (0.46) STAT6WEE1JAK2JAK3PTK2
SCHEMBL16570848 0.88 STAT6 (0.46) STAT6WEE1JAK2JAK3PTK2

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-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
US-20160222014-A1 COMPOUNDS FOR REGULATING FAK AND/OR SRC PATHWAYS ASANA BIOSCIENCES, LLC (US) 2016-08-04 — — US disclosed
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 103/4885WEE1 1512/4885JAK2 9/4885

“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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