SCHEMBL21887244

SCHEMBL21887244

CC(C)N1CCC2(CC1)c1ncncc1C[C@H]2N

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.38
PTPN11 Q06124 2/20 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
SCHEMBL21887245 0.81 PTPN11 (0.46) CYP2D6PTPN11
SCHEMBL22393723 0.75 CYP2D6 (0.36) CYP2D6PTPN11
SCHEMBL21887246 0.75 CYP2D6 (0.36) CYP2D6PTPN11
SCHEMBL23562410 0.73 CYP2D6 (0.41) CYP2D6
SCHEMBL22969073 0.73 CYP2D6 (0.41) CYP2D6
SCHEMBL25564816 0.73 CYP2D6 (0.38) CYP2D6PTPN11
SCHEMBL21887249 0.71 CYP2D6 (0.49) CYP2D6PTPN11
SCHEMBL22393722 0.69 CYP2D6 (0.40) CYP2D6PTPN11
SCHEMBL21887248 0.69 CYP2D6 (0.40) CYP2D6PTPN11
SCHEMBL21845236 0.66 PTPN11 (0.49) CYP2D6PTPN11

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-20200115389-A1 FUSED TRICYCLIC RING DERIVATIVES AS SRC HOMOLOGY-2 PHOSPHATASE INHIBITORS NIKANG THERAPEUTICS, INC. 2020-04-16 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-20200115389-A1 FUSED TRICYCLIC RING DERIVATIVES AS SRC HOMOLOGY-2 PHOSPHATASE INHIBITORS SRC, PTPRCAP, PTPRC CYP2D6 4506/4885PTPN11 27/4885

“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.