SCHEMBL15034944

SCHEMBL15034944

C=C(c1cc2cnc(Nc3ccc(C4CN(C)CCS4)cc3)nc2n(Cc2ccsc2C2=CCCC2)c1=O)N(C)C

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 15/20 0.35
CDK4 P11802 3/20 0.33
CCND1 P24385 3/20 0.33
FGFR1 P11362 2/20 0.33
WEE1 P30291 1/20 0.33
CCNA2 P20248 1/20 0.33
FGFR2 P21802 1/20 0.33
FGFR4 P22455 1/20 0.33
FGFR3 P22607 1/20 0.33
CDK2 P24941 1/20 0.33
CCND2 P30279 1/20 0.33
CCND3 P30281 1/20 0.33
JAK2 O60674 1/20 0.32
EGFR P00533 1/20 0.32
JAK1 P23458 1/20 0.32
TYK2 P29597 1/20 0.32
BTK Q06187 1/20 0.32
CCNT1 O60563 1/20 0.32
CDK9 P50750 1/20 0.32

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
SCHEMBL15041759 0.93 CDK4 (0.36) JAK3CDK4CCND1FGFR1WEE1
SCHEMBL15237020 0.87 JAK3 (0.33) JAK3CDK4CCND1FGFR1WEE1
SCHEMBL15035045 0.81 JAK3 (0.35) JAK3CDK4CCND1FGFR1WEE1
SCHEMBL15034830 0.81 WEE1 (0.35) JAK3CDK4CCND1FGFR1WEE1
SCHEMBL15242116 0.80 CDK4 (0.35) JAK3CDK4CCND1CCNA2CDK2
SCHEMBL15035904 0.79 JAK3 (0.36) JAK3CDK4CCND1WEE1CCND2
SCHEMBL15277140 0.78 JAK3 (0.35) JAK3CDK4CCND1FGFR1WEE1
SCHEMBL15035818 0.76 JAK3 (0.37) JAK3CDK4CCND1CCND2CCND3
SCHEMBL15034798 0.76 TNK2 (0.36) JAK3CDK4CCND1FGFR1WEE1
SCHEMBL15041337 0.74 CAMK2D (0.37) JAK3CDK4CCND1FGFR1WEE1

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-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 JAK3 1901/4885CDK4 404/4885CCND1 2153/4885

“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.