SCHEMBL15035588

SCHEMBL15035588

C=C1C=Cc2cnc(Nc3ccc(C4CCNC4)cc3)nc2N1C1CNc2ccccc2C1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 3/20 0.38
TNK2 Q07912 2/20 0.35
STK17A Q9UEE5 1/20 0.35
BTK Q06187 1/20 0.34
MARK3 P27448 2/20 0.34
ACVR1 Q04771 1/20 0.34
MARK4 Q96L34 1/20 0.33
WEE1 P30291 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
SCHEMBL15035271 0.82 CDK4 (0.50) TNK2
SCHEMBL15041618 0.77 CDK4 (0.55)
SCHEMBL15035487 0.77 MARK3 (0.38) PTK2TNK2BTKMARK3ACVR1
SCHEMBL15035288 0.73 NUAK1 (0.37) PTK2MARK3MARK4
SCHEMBL15035342 0.72 AXL (0.33)
SCHEMBL15035451 0.69 CACNA2D1 (0.34) PTK2
SCHEMBL15035382 0.68 CDK4 (0.50) PTK2
SCHEMBL15035550 0.67 CACNA2D1 (0.36) PTK2TNK2
SCHEMBL15035264 0.67 CDK4 (0.51) TNK2
SCHEMBL15035506 0.66 TYRO3 (0.36) PTK2

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 PTK2 12/4885TNK2 7/4885STK17A 328/4885

“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.