SCHEMBL10183113

SCHEMBL10183113

CC(C)(C)c1cnc2n1CCN2

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
P2RX7 Q99572 1/20 0.31

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
SCHEMBL10183041 0.88 KDM4E (0.36) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL12376780 0.76 KDM4E (0.41) KDM4EALDH1A1HPGDHSD17B10P2RX7
SCHEMBL22102661 0.75
SCHEMBL10183608 0.71 GSK3B (0.34)
SCHEMBL14459758 0.67 KDM4E (0.42) KDM4EALDH1A1HPGDHSD17B10P2RX7
SCHEMBL10183038 0.64 AR (0.44) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL22102449 0.64 GFER (0.42) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL10183114 0.64
SCHEMBL10183044 0.63 MAPK1 (0.47) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL10183047 0.62

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 KDM4E 2722/4885ALDH1A1 1934/4885HPGD 2536/4885

“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.