SCHEMBL15041241

SCHEMBL15041241

C[C@@H]1CN(c2ccc(Nc3ncc4cc(C(=O)C5CCOCC5)c(=O)n(Cc5ncccc5C5=CCCC5)c4n3)cc2F)C[C@H](C)N1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 6/20 0.41
TNK2 Q07912 9/20 0.38
FGFR1 P11362 2/20 0.38
FGFR4 P22455 2/20 0.38
KDR P35968 1/20 0.38
PAK3 O75914 1/20 0.37
PAK4 O96013 1/20 0.37
LIMK1 P53667 1/20 0.37
LIMK2 P53671 1/20 0.37
PAK1 Q13153 1/20 0.37
PAK2 Q13177 1/20 0.37
PKN1 Q16512 1/20 0.37
MAPK9 P45984 1/20 0.36
MAPK10 P53779 1/20 0.36
WEE1 P30291 1/20 0.36
CDK4 P11802 1/20 0.35
CCNA2 P20248 1/20 0.35
FGFR2 P21802 1/20 0.35
FGFR3 P22607 1/20 0.35
CCND1 P24385 1/20 0.35

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
SCHEMBL15034965 0.94 JAK3 (0.41) JAK3TNK2FGFR1FGFR4KDR
SCHEMBL15041381 0.79 JAK3 (0.40) JAK3TNK2FGFR1FGFR4KDR
SCHEMBL15041754 0.79 JAK3 (0.39) JAK3TNK2FGFR1FGFR4KDR
SCHEMBL15041619 0.77 JAK3 (0.38) JAK3TNK2FGFR1FGFR4KDR
SCHEMBL15041346 0.76 FGFR1 (0.41) JAK3TNK2FGFR1FGFR4KDR
SCHEMBL15237014 0.75 JAK3 (0.41) JAK3TNK2FGFR1FGFR4KDR
SCHEMBL15034898 0.75 JAK3 (0.41) JAK3TNK2FGFR1FGFR4KDR
SCHEMBL15041297 0.75 MAPK9 (0.40) JAK3TNK2FGFR1FGFR4KDR
SCHEMBL15041756 0.74 JAK3 (0.42) JAK3TNK2FGFR1FGFR4KDR
SCHEMBL15035764 0.73 JAK3 (0.39) JAK3TNK2FGFR1FGFR4KDR

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-20130231348-A1 8-(HETEROARYLMETHYL)PYRIDO[2,3-d]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS AFRAXIS, INC. (US) 2013-09-05 US disclosed
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER AFRAXIS, INC. (US) 2013-06-20 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-20130231348-A1 8-(HETEROARYLMETHYL)PYRIDO[2,3-d]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS PAK2, PAK3, PAK5 JAK3 473/4885TNK2 10/4885FGFR1 2874/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 JAK3 1901/4885TNK2 7/4885FGFR1 1919/4885

“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.