SCHEMBL17958744

SCHEMBL17958744

CC1CN(c2ccc(Nc3ncc4ccn(S(=O)(=O)c5cccc6cccnc56)c4n3)cc2F)CCN1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 10/20 0.49
BRD4 O60885 10/20 0.49
WEE1 P30291 1/20 0.48
FGFR4 P22455 9/20 0.47
FGFR1 P11362 1/20 0.47
FGFR2 P21802 1/20 0.47
FGFR3 P22607 1/20 0.47
JAK1 P23458 3/20 0.46
BRD2 P25440 3/20 0.46
JAK3 P52333 3/20 0.46
BRD3 Q15059 3/20 0.46
BRDT Q58F21 3/20 0.46

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
SCHEMBL16570129 1.00 JAK2 (0.49) JAK2BRD4WEE1FGFR4FGFR1
SCHEMBL16570494 1.00 JAK2 (0.49) JAK2BRD4WEE1FGFR4FGFR1
SCHEMBL16570146 0.90 JAK2 (0.58) JAK2BRD4WEE1FGFR4JAK1
SCHEMBL17958738 0.88 FGFR4 (0.56) FGFR4FGFR1FGFR2FGFR3
SCHEMBL16571128 0.88 FGFR4 (0.56) FGFR4FGFR1FGFR2FGFR3
SCHEMBL16570331 0.88 FGFR4 (0.56) FGFR4FGFR1FGFR2FGFR3
SCHEMBL16570953 0.82 WEE1 (0.47) JAK2BRD4WEE1JAK1BRD2
SCHEMBL17958812 0.82 WEE1 (0.47) JAK2BRD4WEE1JAK1BRD2
SCHEMBL16570057 0.82 JAK2 (0.49) JAK2BRD4WEE1FGFR4JAK1
SCHEMBL16580972 0.80 JAK2 (0.61) JAK2BRD4WEE1FGFR4FGFR1

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 1 patent. 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

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 JAK2 9/4885BRD4 427/4885WEE1 1512/4885

“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.