SCHEMBL15035487

SCHEMBL15035487

C=C1C=Cc2cnc(Nc3ccc(C4CCNC4)cc3)nc2N1C1C(=O)c2ccccc2NC1(C)C

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MARK3 P27448 6/20 0.38
MARK4 Q96L34 4/20 0.37
PTK2 Q05397 3/20 0.37
WEE1 P30291 1/20 0.35
JAK2 O60674 3/20 0.35
BRD4 O60885 2/20 0.35
JAK3 P52333 2/20 0.35
JAK1 P23458 1/20 0.35
BRD2 P25440 1/20 0.35
BRD3 Q15059 1/20 0.35
BRDT Q58F21 1/20 0.35
TNK2 Q07912 1/20 0.34
BTK Q06187 1/20 0.34
NUAK1 O60285 1/20 0.33
FLT4 P35916 1/20 0.33
ACVR1 Q04771 1/20 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
SCHEMBL15035280 0.82 TNK2 (0.52) JAK2BRD4TNK2
SCHEMBL15041345 0.80 CDK4 (0.48) JAK2BRD4JAK3JAK1BRD2
SCHEMBL15035588 0.77 PTK2 (0.38) MARK3MARK4PTK2WEE1TNK2
SCHEMBL15035263 0.68 TNK2 (0.48) TNK2
SCHEMBL15041578 0.67 CDK4 (0.51) PTK2JAK2BRD4
SCHEMBL15035288 0.67 NUAK1 (0.37) MARK3MARK4PTK2JAK2JAK3
SCHEMBL15035382 0.66 CDK4 (0.50) PTK2JAK2BRD4
SCHEMBL15035451 0.65 CACNA2D1 (0.34) PTK2
SCHEMBL15035550 0.64 CACNA2D1 (0.36) PTK2TNK2NUAK1
SCHEMBL15035333 0.64 CDK4 (0.41)

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 MARK3 822/4885MARK4 675/4885PTK2 12/4885

“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.