SCHEMBL10183159

SCHEMBL10183159

CCN1CC(n2cnc3cnc(C(C)(C)C)cc32)C1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 2/20 0.35
DRD2 P14416 1/20 0.34
SLC6A4 P31645 1/20 0.34
JAK2 O60674 1/20 0.32
TYK2 P29597 1/20 0.32
JAK3 P52333 1/20 0.32
GLRA3 O75311 1/20 0.31
GLRB P48167 1/20 0.31
EGFR P00533 1/20 0.30
IDO1 P14902 1/20 0.30

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
SCHEMBL10183640 0.91 DRD2 (0.43) JAK1DRD2SLC6A4JAK2TYK2
SCHEMBL10183158 0.91 DRD2 (0.43) JAK1DRD2SLC6A4JAK2TYK2
SCHEMBL10235416 0.90 JAK1 (0.34) JAK1DRD2SLC6A4JAK2TYK2
SCHEMBL10183281 0.86 SYK (0.35) JAK1DRD2SLC6A4JAK2TYK2
SCHEMBL10183230 0.85 GLRA3 (0.35) DRD2SLC6A4GLRA3GLRBEGFR
SCHEMBL10183626 0.83 EGFR (0.40) JAK1DRD2SLC6A4EGFRIDO1
SCHEMBL10183244 0.82 IDO1 (0.35) GLRA3GLRBEGFRIDO1
SCHEMBL10183124 0.81 EGFR (0.42) JAK1JAK2JAK3EGFR
SCHEMBL10183143 0.81 GAA (0.44) JAK1JAK2JAK3EGFR
SCHEMBL10183285 0.80 ALDH1A1 (0.46) JAK1JAK2TYK2JAK3IDO1

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 JAK1 941/4885DRD2 4814/4885SLC6A4 4779/4885

“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.