SCHEMBL21801405

SCHEMBL21801405

CCOC(=O)CCc1c(I)c2c(Cl)ncnc2n1C(C)C

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.35
CYP4F2 P78329 2/20 0.33
CYP4A11 Q02928 2/20 0.33
LMNA P02545 2/20 0.32
MAPT P10636 2/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
TNF P01375 2/20 0.31
KAT2B Q92831 1/20 0.31
EGFR P00533 1/20 0.31
RET P07949 1/20 0.30
MAP3K8 P41279 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
SCHEMBL21801368 0.78 RET (0.33) MEN1KMT2ARET
SCHEMBL21178876 0.77 RET (0.40) MEN1KMT2AEGFRRET
SCHEMBL21801345 0.76 L3MBTL1 (0.36) L3MBTL1CYP4F2CYP4A11LMNAMAPT
SCHEMBL22037128 0.71 MEN1 (0.41) MEN1KMT2ARET
SCHEMBL21801527 0.71
SCHEMBL21178731 0.70 ADK (0.31)
SCHEMBL12590776 0.66 CYP1A2 (0.44) L3MBTL1CYP4F2CYP4A11TSHRTNF
SCHEMBL18341927 0.66 RET (0.37) MEN1KMT2ARET
SCHEMBL21179013 0.65 ATM (0.40) LMNAMAPTTSHRKMT2ARXFP1
SCHEMBL12844463 0.65 L3MBTL1 (0.45) L3MBTL1CYP4F2CYP4A11LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11964988-B2 Fused heterocyclic compounds as RET kinase inhibitors ARRAY BIOPHARMA INC. (US) 2024-04-23 US disclosed
EP-3849986-B1 FUSED HETEROCYCLIC COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2022-06-08 EP disclosed
US-20220112214-A1 FUSED HETEROCYCLIC COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2022-04-14 US disclosed
EP-3849986-A1 FUSED HETEROCYCLIC COMPOUNDS AS RET KINASE INHIBITORS Array Biopharma, Inc. (US) 2021-07-21 EP disclosed
WO-2020055672-A1 FUSED HETEROCYCLIC COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2020-03-19 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-20220112214-A1 FUSED HETEROCYCLIC COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, FRK L3MBTL1 1737/4885CYP4F2 2243/4885CYP4A11 2048/4885
US-11964988-B2 Fused heterocyclic compounds as RET kinase inhibitors RET, ROR1, FRK L3MBTL1 1737/4885CYP4F2 2243/4885CYP4A11 2048/4885

“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.