SCHEMBL15035545

SCHEMBL15035545

CCOc1cc2cnc(Nc3ccc(C4CCN(C)CC4)cc3)nc2n(C2Cc3ccccc3C(=O)C2(C)C)c1=O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 8/20 0.45
TNK2 Q07912 2/20 0.45
PAK4 O96013 1/20 0.44
PKN1 Q16512 1/20 0.44
FGFR1 P11362 2/20 0.43
FGFR4 P22455 2/20 0.43
CDK4 P11802 1/20 0.43
FGFR2 P21802 1/20 0.43
FGFR3 P22607 1/20 0.43
CCND1 P24385 1/20 0.43
JAK3 P52333 2/20 0.42
JAK2 O60674 2/20 0.42
BRD4 O60885 2/20 0.42
WEE1 P30291 2/20 0.42
PLK1 P53350 1/20 0.41
CSF1R P07333 1/20 0.41
KDR P35968 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
SCHEMBL15035379 0.81 CDK4 (0.44) MAP4K1TNK2PAK4PKN1FGFR1
SCHEMBL15035346 0.81 MAP4K1 (0.41) MAP4K1TNK2PAK4PKN1FGFR1
SCHEMBL15041809 0.81 CDK4 (0.49) MAP4K1TNK2PAK4PKN1FGFR1
SCHEMBL15035464 0.81 CAMK2D (0.43) TNK2FGFR1CDK4CCND1WEE1
SCHEMBL15035587 0.81 JAK3 (0.44) MAP4K1TNK2PAK4PKN1FGFR1
SCHEMBL15035338 0.80 CDK4 (0.44) MAP4K1TNK2PAK4PKN1FGFR1
SCHEMBL15035483 0.79 TNK2 (0.43) MAP4K1TNK2PAK4PKN1FGFR1
SCHEMBL15035384 0.78 CDK4 (0.45) MAP4K1TNK2PAK4PKN1FGFR1
SCHEMBL15041137 0.76 CDK4 (0.52) TNK2PAK4PKN1FGFR1FGFR4
SCHEMBL15035406 0.76 CDK4 (0.43) TNK2PAK4PKN1FGFR1FGFR4

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-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER AFRAXIS, INC. (US) 2013-06-20 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 (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-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 MAP4K1 84/4885TNK2 7/4885PAK4 5/4885

“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.