SCHEMBL10183064

SCHEMBL10183064

CC(=O)N1CCn2c(C(C)(C)C)cnc2C1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.43
P2RX7 Q99572 13/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
TGFBR1 P36897 1/20 0.35
NOTUM Q6P988 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34

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
SCHEMBL10183072 0.83 NR1H2 (0.47) PDK2ATM
SCHEMBL21423632 0.80 P2RX7 (0.51) PDK2P2RX7MEN1KMT2AATM
SCHEMBL599712 0.78 P2RX7 (0.53) PDK2P2RX7MEN1KMT2AATM
SCHEMBL21423961 0.78 TGFBR1 (0.40) PDK2P2RX7MEN1KMT2AATM
SCHEMBL24656040 0.78 P2RX7 (0.39) PDK2P2RX7MEN1KMT2AATM
SCHEMBL17579750 0.77 PDK2 (0.41) PDK2P2RX7MEN1KMT2AATM
SCHEMBL12233612 0.77 PDK2 (0.52) PDK2P2RX7HDAC4HDAC1HDAC6
SCHEMBL10233673 0.76 CPB2 (0.43) PDK2P2RX7MEN1KMT2AATM
SCHEMBL21423969 0.75 PDK2 (0.39) PDK2P2RX7MEN1KMT2AATM
SCHEMBL18711410 0.75 CREBBP (0.39) PDK2P2RX7TGFBR1

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-20120040951-A1 HETEROARYL COMPOUNDS USEFUL AS RAF KINASE INHIBITORS SUNESIS PHARMACEUTICALS, INC. 2012-02-16 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-20120040951-A1 HETEROARYL COMPOUNDS USEFUL AS RAF KINASE INHIBITORS BRAF, RAF1, ARAF PDK2 465/4885P2RX7 4296/4885MEN1 2395/4885

“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.