SCHEMBL21178867

SCHEMBL21178867

CC(C)n1cc(-c2noc(C3CC3)c2C(O)CO)c2c(N)ncnc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 14/20 1.00
▸ KDR P35968 5/20 0.45
▸ TEK Q02763 4/20 0.45
▸ PIK3CD O00329 1/20 0.43
▸ PIK3CA P42336 1/20 0.43
▸ PIK3CB P42338 1/20 0.43
▸ PIK3CG P48736 1/20 0.43
▸ PRKDC P78527 1/20 0.43
▸ LCK P06239 2/20 0.42
▸ SRC P12931 1/20 0.42
▸ CYP1A2 P05177 1/20 0.41
▸ HCK P08631 1/20 0.41
▸ FGR P09769 1/20 0.41
▸ RPS6KB1 P23443 1/20 0.41
▸ FLT4 P35916 1/20 0.41
▸ MAP2K2 P36507 1/20 0.41
▸ MAP2K1 Q02750 1/20 0.41
▸ RPS6KA1 Q15418 1/20 0.41
▸ FLT3 P36888 1/20 0.41

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
SCHEMBL21187714 0.84 RET (0.79) RETKDRTEKPIK3CDPIK3CA
SCHEMBL21179020 0.83 RET (1.00) RETKDRTEKPIK3CDPIK3CA
SCHEMBL21178779 0.82 RET (0.73) RETKDRTEKPIK3CDPIK3CA
SCHEMBL31639920 0.82 RET (0.73) RETKDRTEKPIK3CDPIK3CA
SCHEMBL21187519 0.82 RET (1.00) RETKDRTEKPIK3CDPIK3CA
SCHEMBL22605132 0.79 RET (1.00) RETKDRTEKPIK3CDPIK3CA
SCHEMBL21178848 0.77 RET (1.00) RETKDRTEKLCKSRC
Trifluoroacetic Acid SCHEMBL21178723 0.77 RET (0.88) RETKDRTEKPIK3CDPIK3CA
SCHEMBL31641340 0.75 RET (0.66) RETKDRPIK3CDPIK3CAPIK3CB
Hydrochloric Acid SCHEMBL31639826 0.75 RET (0.65) RETKDRPIK3CDPIK3CAPIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11603374-B2 Substituted pyrrolo[2,3-d]pyrimidines compounds as ret kinase inhibitors ARRAY BIOPHARMA INC. (US) 2023-03-14 — — US disclosed
EP-3740491-A1 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES COMPOUNDS AS RET KINASE INHIBITORS Array Biopharma, Inc. (US) 2020-11-25 — — EP disclosed
US-20200339589-A1 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA, INC. 2020-10-29 — — US disclosed
US-20200339589-A1 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA, INC. 2020-10-29 — — US disclosed
WO-2019143977-A1 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2019-07-25 — — WO disclosed
WO-2019143977-A1 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2019-07-25 — — 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-20200339589-A1 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, FGFR3 RET 1/4885KDR 181/4885TEK 621/4885
US-11603374-B2 Substituted pyrrolo[2,3-d]pyrimidines compounds as ret kinase inhibitors RET, ROR1, FGFR3 RET 1/4885KDR 181/4885TEK 621/4885

“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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