SCHEMBL22555075

SCHEMBL22555075

O=C(N1CC[C@H]2[C@@H]1CN2Cc1ccccc1)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.47
PDK2 Q15119 1/20 0.47
PDK3 Q15120 1/20 0.47
PDK4 Q16654 1/20 0.47
OPRM1 P35372 3/20 0.41
OPRK1 P41145 3/20 0.41
SLC18A3 Q16572 1/20 0.39
MEN1 O00255 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL22555142 1.00 PDK1 (0.47) PDK1PDK2PDK3PDK4OPRM1
SCHEMBL22555109 0.85 OPRM1 (0.44) OPRM1OPRK1MEN1TSHRKMT2A
SCHEMBL22208222 0.85 OPRM1 (0.44) OPRM1OPRK1MEN1TSHRKMT2A
SCHEMBL30064999 0.85 OPRM1 (0.44) OPRM1OPRK1MEN1TSHRKMT2A
SCHEMBL3580101 0.85 OPRM1 (0.44) OPRM1OPRK1MEN1TSHRKMT2A
SCHEMBL651151 0.79 STS (0.47) PDK1PDK2PDK3PDK4KMT2A
SCHEMBL929751 0.79 STS (0.47) PDK1PDK2PDK3PDK4KMT2A
SCHEMBL30071078 0.79 STS (0.47) PDK1PDK2PDK3PDK4KMT2A
SCHEMBL29889592 0.73 ABL1 (0.46) OPRK1
SCHEMBL15818081 0.72 TEAD1 (0.41) PDK1PDK2PDK3PDK4KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11548888-B2 KRas G12C inhibitors Mirati Therapeutics, Inc. (US) 2023-01-10 US disclosed
US-20200331911-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. 2020-10-22 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 (2 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-11548888-B2 KRas G12C inhibitors KRAS, NRAS, HRAS PDK1 981/4885PDK2 2683/4885PDK3 3099/4885
US-20200331911-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS PDK1 981/4885PDK2 2683/4885PDK3 3099/4885

“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.