SCHEMBL29456246

SCHEMBL29456246

CC(C)n1c(/C=C/C(=O)OCc2ccccc2)c(-c2cc(C3CC3)on2)c2c(Cl)ncnc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 11/20 0.51
▸ CYP1A2 P05177 1/20 0.35
▸ HCK P08631 1/20 0.35
▸ FGR P09769 1/20 0.35
▸ RPS6KB1 P23443 1/20 0.35
▸ FLT4 P35916 1/20 0.35
▸ KDR P35968 1/20 0.35
▸ MAP2K2 P36507 1/20 0.35
▸ MAP2K1 Q02750 1/20 0.35
▸ RPS6KA1 Q15418 1/20 0.35
▸ PDE4B Q07343 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ POLB P06746 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ SCD O00767 1/20 0.34
▸ SCD5 Q86SK9 1/20 0.34
▸ STAT3 P40763 1/20 0.33
▸ STAT1 P42224 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 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
SCHEMBL21801415 0.86 RET (0.60) RETCYP1A2HCKFGRRPS6KB1
SCHEMBL21179015 0.79 RET (0.78) RETCYP1A2HCKFGRRPS6KB1
SCHEMBL21801396 0.76 RET (0.60) RETCYP1A2HCKFGRRPS6KB1
SCHEMBL28654727 0.74 RET (0.53) RETCYP1A2HCKFGRRPS6KB1
SCHEMBL21801380 0.73 RET (0.78) RETCYP1A2HCKFGRRPS6KB1
SCHEMBL21178778 0.73 RET (0.77) RETCYP1A2HCKFGRRPS6KB1
SCHEMBL29456120 0.72 ALDH1A1 (0.46) PDE4BALDH1A1LMNAPOLB
SCHEMBL30893390 0.72 RET (0.49) RET
SCHEMBL29182329 0.72 RET (0.49) RET
SCHEMBL30893377 0.70 RET (0.39) RET

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-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

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 RET 1/4885CYP1A2 3948/4885HCK 259/4885
US-11964988-B2 Fused heterocyclic compounds as RET kinase inhibitors RET, ROR1, FRK RET 1/4885CYP1A2 3948/4885HCK 259/4885

“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.

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