SCHEMBL19797341

SCHEMBL19797341

COc1ccc([C@H](C)NC(=O)C2(O)CCN(c3nc(C)cc(Nc4cc(C)[nH]n4)n3)CC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RET P07949 20/20 1.00
JAK2 O60674 1/20 0.46
KIF5B P33176 1/20 0.46
KDR P35968 1/20 0.46
FLT3 P36888 1/20 0.46
CCDC6 Q16204 1/20 0.46

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
SCHEMBL19796094 0.91 RET (1.00) RETJAK2KIF5BKDRFLT3
SCHEMBL19796088 0.88 RET (1.00) RETJAK2KIF5BKDRFLT3
SCHEMBL19795809 0.85 RET (1.00) RET
SCHEMBL19808109 0.81 RET (0.84) RETJAK2KIF5BKDRFLT3
SCHEMBL19796087 0.77 RET (1.00) RET
SCHEMBL19795805 0.76 RET (0.84) RET
SCHEMBL19796106 0.75 RET (0.80) RETJAK2KIF5BKDRFLT3
SCHEMBL30452005 0.75 RET (0.66) RETJAK2
SCHEMBL28429908 0.75 RET (0.66) RETJAK2
SCHEMBL19796051 0.75 RET (1.00) RETJAK2KIF5BKDRFLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10227329-B2 Compounds useful for treating disorders related to RET BLUEPRINT MEDICINES CORPORATION (US) 2019-03-12 US disclosed
US-20180022732-A1 COMPOUNDS USEFUL FOR TREATING DISORDERS RELATED TO RET BLUEPRINT MEDICINES CORPORATION 2018-01-25 US disclosed
WO-2018017983-A1 COMPOUNDS USEFUL FOR TREATING DISORDERS RELATED TO RET BLUEPRINT MEDICINES CORPORATION (US) 2018-01-25 WO 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-10227329-B2 Compounds useful for treating disorders related to RET RET, EYA2, HRAS RET 1/4885JAK2 2873/4885KIF5B 1188/4885
US-20180022732-A1 COMPOUNDS USEFUL FOR TREATING DISORDERS RELATED TO RET RET, EYA2, HRAS RET 1/4885JAK2 2873/4885KIF5B 1188/4885

“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.