SCHEMBL15035263

SCHEMBL15035263

C=C1C=Cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2N1C1C(=O)c2ccccc2OC1(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 2/20 0.48
CCND3 P30281 8/20 0.44
CDK4 P11802 7/20 0.44
CCND1 P24385 6/20 0.44
CCND2 P30279 6/20 0.44
ALK Q9UM73 2/20 0.43
CCNA2 P20248 5/20 0.42
CDK2 P24941 5/20 0.42
CCNK O75909 2/20 0.42
CDK9 P50750 2/20 0.42
CDK6 Q00534 2/20 0.42
DCLK1 O15075 1/20 0.42
LRRK2 Q5S007 1/20 0.42
RPS6KA6 Q9UK32 1/20 0.42
AXL P30530 1/20 0.42
NEK2 P51955 1/20 0.42
AURKA O14965 1/20 0.41
CCNE2 O96020 3/20 0.41
CCNE1 P24864 3/20 0.41
CCNA1 P78396 3/20 0.41

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
SCHEMBL15035280 0.85 TNK2 (0.52) TNK2CCND3CDK4CCND1CCND2
SCHEMBL15041299 0.79 CDK4 (0.64) TNK2CCND3CDK4CCND1CCND2
SCHEMBL15035278 0.78 CDK4 (0.50) TNK2CCND3CDK4CCND1CCND2
SCHEMBL15035272 0.74 FGFR1 (0.57) TNK2CCND3CDK4CCND1CCND2
SCHEMBL15035264 0.74 CDK4 (0.51) TNK2CCND3CDK4CCND1CCND2
SCHEMBL15035284 0.73 CDK4 (0.51) TNK2CCND3CDK4CCND1CCND2
SCHEMBL15035271 0.73 CDK4 (0.50) TNK2CCND3CDK4CCND1CCND2
SCHEMBL16510429 0.72 PAK1 (0.62) TNK2CCND3CDK4CCND1CCND2
SCHEMBL15035270 0.72 PAK1 (0.54) TNK2CCND3CDK4CCND1CCND2
SCHEMBL10192607 0.70 ALK (0.49) CDK4CCND1ALKCDK2FGFR4

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 TNK2 7/4885CCND3 2451/4885CDK4 404/4885

“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.