SCHEMBL21178644

SCHEMBL21178644

CC(C)n1nc(-c2noc([C@@H](C)O)c2-c2ccccn2)c2c(N)ncnc21

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 16/20 0.65
▸ PIK3CD O00329 4/20 0.52
▸ ABL1 P00519 4/20 0.52
▸ EGFR P00533 4/20 0.52
▸ HCK P08631 4/20 0.52
▸ SRC P12931 4/20 0.52
▸ KDR P35968 4/20 0.52
▸ PIK3CA P42336 4/20 0.52
▸ PIK3CB P42338 4/20 0.52
▸ MTOR P42345 4/20 0.52
▸ PIK3CG P48736 4/20 0.52
▸ EPHB4 P54760 4/20 0.52
▸ PRKDC P78527 4/20 0.52
▸ PI4KB Q9UBF8 4/20 0.52

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
SCHEMBL21178647 1.00 RET (0.65) RETPIK3CDABL1EGFRHCK
SCHEMBL30382165 1.00 RET (0.65) RETPIK3CDABL1EGFRHCK
SCHEMBL21179050 0.83 RET (0.75) RETHCKKDR
SCHEMBL30381942 0.83 RET (0.75) RETHCKKDR
SCHEMBL21178745 0.80 RET (0.62) RETPIK3CDABL1EGFRHCK
SCHEMBL21178742 0.80 RET (0.62) RETPIK3CDABL1EGFRHCK
SCHEMBL24765428 0.79 RET (0.47) RETHCKKDR
SCHEMBL18518418 0.79 RET (1.00) RETPIK3CDABL1EGFRHCK
SCHEMBL21178776 0.73 RET (1.00) RETPIK3CDABL1EGFRHCK
SCHEMBL21178774 0.73 RET (1.00) RETPIK3CDABL1EGFRHCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111630054-B Substituted pyrazolo [3,4-d ] pyrimidine compounds as RET kinase inhibitors 奥瑞生物药品公司 2023-05-09 — — CN disclosed
US-11524963-B2 Substituted pyrazolo[3,4-d]pyrimidines as RET kinase inhibitors ARRAY BIOPHARMA INC. (US) 2022-12-13 — — US disclosed
US-11524963-B2 Substituted pyrazolo[3,4-d]pyrimidines as RET kinase inhibitors ARRAY BIOPHARMA INC. (US) 2022-12-13 — — US disclosed
US-20200399279-A1 SUBSTITUTED PYRAZOLO[3,4-d]PYRIMIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA, INC. 2020-12-24 — — US disclosed
US-20200399279-A1 SUBSTITUTED PYRAZOLO[3,4-d]PYRIMIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA, INC. 2020-12-24 — — US disclosed
EP-3740490-A1 SUBSTITUTED PYRAZOLO[3,4-D]PYRIMIDINE COMPOUNDS AS RET KINASE INHIBITORS Array Biopharma, Inc. (US) 2020-11-25 — — EP disclosed
CN-111630054-A Substituted pyrazolo [3,4-d ] pyrimidine compounds as RET kinase inhibitors 奥瑞生物药品公司 2020-09-04 — — CN disclosed
WO-2019143991-A1 SUBSTITUTED PYRAZOLO[3,4-d]PYRIMIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2019-07-25 — — WO disclosed
WO-2019143991-A1 SUBSTITUTED PYRAZOLO[3,4-d]PYRIMIDINE 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-20200399279-A1 SUBSTITUTED PYRAZOLO[3,4-d]PYRIMIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF RET 1/4885PIK3CD 1409/4885ABL1 83/4885
US-11524963-B2 Substituted pyrazolo[3,4-d]pyrimidines as RET kinase inhibitors RET, ROR1, BRAF RET 1/4885PIK3CD 1425/4885ABL1 76/4885

“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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