SCHEMBL15034845

SCHEMBL15034845

CN(c1ccccc1)c1cc2cnc(Nc3ccc(OC4CCCNC4)cc3)nc2n(Cc2scnc2C2CCOCC2)c1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 4/20 0.35
ACVR1 Q04771 4/20 0.35
NOD2 Q9HC29 4/20 0.35
ERBB3 P21860 2/20 0.35
EGFR P00533 1/20 0.34
CDK4 P11802 6/20 0.34
CCND1 P24385 6/20 0.34
CCNA2 P20248 5/20 0.34
CDK2 P24941 5/20 0.34
FGFR1 P11362 4/20 0.34
FGFR2 P21802 4/20 0.34
FGFR4 P22455 4/20 0.34
FGFR3 P22607 4/20 0.34
CCND2 P30279 1/20 0.34
CCND3 P30281 1/20 0.34
CCNA1 P78396 1/20 0.34
SRC P12931 1/20 0.34
TNK2 Q07912 1/20 0.34
MEN1 O00255 2/20 0.33
USP2 O75604 2/20 0.33

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
SCHEMBL15237004 0.93 RIPK2 (0.37) RIPK2ACVR1NOD2ERBB3EGFR
SCHEMBL15035054 0.91 CDK4 (0.36) RIPK2ACVR1NOD2ERBB3EGFR
SCHEMBL15041190 0.81 RIPK2 (0.35) RIPK2ACVR1NOD2EGFRCDK4
SCHEMBL15034947 0.81 RIPK2 (0.36) RIPK2ACVR1NOD2CDK4CCND1
SCHEMBL15035831 0.79 PLK2 (0.39) RIPK2ACVR1NOD2CDK4CCND1
SCHEMBL15035919 0.79 CDK4 (0.35) RIPK2ACVR1NOD2CDK4CCND1
SCHEMBL15035710 0.76 CDK4 (0.35) RIPK2ACVR1NOD2CDK4CCND1
SCHEMBL15035473 0.74 CDK4 (0.41) EGFRCDK4CCND1CCNA2CDK2
SCHEMBL15041193 0.73 CAMK2D (0.41) RIPK2ACVR1NOD2EGFRCDK4
SCHEMBL15035579 0.73 CDK4 (0.39) EGFRCDK4CCND1CCNA2CDK2

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 RIPK2 971/4885ACVR1 4752/4885NOD2 4628/4885

“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.