SCHEMBL15035271

SCHEMBL15035271

C=C1C=Cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2N1C1CNc2ccccc2C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 5/20 0.50
AURKA O14965 2/20 0.50
ALK Q9UM73 3/20 0.47
TNK2 Q07912 1/20 0.46
EGFR P00533 5/20 0.44
CCND3 P30281 4/20 0.43
CCNA2 P20248 3/20 0.43
CDK2 P24941 3/20 0.43
CCNK O75909 1/20 0.43
CDK9 P50750 1/20 0.43
CDK6 Q00534 1/20 0.43
CCND1 P24385 3/20 0.43
CCND2 P30279 3/20 0.43
RPS6KA6 Q9UK32 1/20 0.43
JAK2 O60674 3/20 0.42
JAK3 P52333 2/20 0.42
PKN1 Q16512 2/20 0.42
ERBB2 P04626 1/20 0.42
MET P08581 1/20 0.42
KIT P10721 1/20 0.42

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
SCHEMBL15035264 0.85 CDK4 (0.51) CDK4AURKAALKTNK2EGFR
SCHEMBL15035284 0.85 CDK4 (0.51) CDK4AURKAALKTNK2EGFR
SCHEMBL15035278 0.84 CDK4 (0.50) CDK4AURKAALKTNK2EGFR
SCHEMBL15035588 0.82 PTK2 (0.38) TNK2
SCHEMBL15035280 0.78 TNK2 (0.52) CDK4AURKAALKTNK2EGFR
SCHEMBL15041559 0.77 CDK4 (0.71) CDK4AURKAEGFRCCND3CCNA2
SCHEMBL10192607 0.74 ALK (0.49) CDK4ALKEGFRCDK2CCND1
SCHEMBL15035263 0.73 TNK2 (0.48) CDK4AURKAALKTNK2EGFR
SCHEMBL15035277 0.70 FGFR1 (0.58) CDK4AURKATNK2CCND3CCNA2
SCHEMBL15035293 0.70 CDK4 (0.51) CDK4AURKAALKEGFRCCND3

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 CDK4 404/4885AURKA 653/4885ALK 2737/4885

“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.