SCHEMBL16570577

SCHEMBL16570577

CCCCCCCCCCCCCCCC(=O)Nc1ccc(Nc2ncc3ccn(Cc4ccccc4N(C)S(C)(=O)=O)c3n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 10/20 0.48
▸ CCND3 P30281 10/20 0.48
▸ JAK2 O60674 7/20 0.48
▸ HDAC6 Q9UBN7 6/20 0.48
▸ HDAC1 Q13547 5/20 0.48
▸ JAK1 P23458 2/20 0.48
▸ TYK2 P29597 2/20 0.48
▸ JAK3 P52333 2/20 0.48
▸ HDAC3 O15379 1/20 0.48
▸ HDAC10 Q969S8 1/20 0.48
▸ HDAC8 Q9BY41 1/20 0.48
▸ PTK2 Q05397 4/20 0.44
▸ PTK2B Q14289 1/20 0.42
▸ AURKA O14965 1/20 0.42
▸ CCNT1 O60563 1/20 0.42
▸ NTRK1 P04629 1/20 0.42
▸ FLT4 P35916 1/20 0.42
▸ CDK9 P50750 1/20 0.42
▸ LIMK1 P53667 1/20 0.42
▸ AURKB Q96GD4 1/20 0.42

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
SCHEMBL16580780 0.87 PTK2 (0.48) JAK2HDAC6HDAC1JAK1TYK2
SCHEMBL16570256 0.84 PTK2 (0.48) JAK2HDAC6HDAC1JAK1TYK2
SCHEMBL16580858 0.83 PTK2 (0.45) JAK2HDAC6TYK2JAK3PTK2
SCHEMBL16581005 0.83 PTK2 (0.51) JAK2TYK2JAK3PTK2PTK2B
SCHEMBL16570232 0.83 PTK2 (0.50) JAK2TYK2JAK3PTK2PTK2B
SCHEMBL16570555 0.82 PTK2 (0.62) JAK2JAK1TYK2JAK3PTK2
SCHEMBL16570503 0.80 PTK2 (0.51) JAK2TYK2JAK3PTK2AURKA
SCHEMBL16570345 0.79 JAK2 (0.54) CDK4JAK2JAK3PTK2AURKA
SCHEMBL16571273 0.78 JAK2 (0.44) JAK2JAK1JAK3PTK2PTK2B
SCHEMBL16570299 0.78 JAK2 (0.64) CDK4JAK2JAK3PTK2AURKA

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 2 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
WO-2015038417-A1 COMPOUNDS FOR REGULATING FAK AND/OR SRC PATHWAYS ASANA BIOSCIENCES, LLC (US) 2015-03-19 — — WO claimed

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 CDK4 243/4885CCND3 1198/4885JAK2 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.

Send feedback