SCHEMBL21178745

SCHEMBL21178745

CC(O)c1onc(-c2nn(C(C)C)c3ncnc(N)c23)c1I

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 10/20 0.62
▸ HCK P08631 11/20 0.56
▸ KDR P35968 11/20 0.56
▸ PIK3CD O00329 10/20 0.56
▸ ABL1 P00519 10/20 0.56
▸ EGFR P00533 10/20 0.56
▸ SRC P12931 10/20 0.56
▸ PIK3CA P42336 10/20 0.56
▸ PIK3CB P42338 10/20 0.56
▸ MTOR P42345 10/20 0.56
▸ PIK3CG P48736 10/20 0.56
▸ EPHB4 P54760 10/20 0.56
▸ PRKDC P78527 10/20 0.56
▸ PI4KB Q9UBF8 10/20 0.56
▸ CYP1A2 P05177 1/20 0.52
▸ FGR P09769 1/20 0.52
▸ RPS6KB1 P23443 1/20 0.52
▸ FLT4 P35916 1/20 0.52
▸ MAP2K2 P36507 1/20 0.52
▸ MAP2K1 Q02750 1/20 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
SCHEMBL21178742 1.00 RET (0.62) RETHCKKDRPIK3CDABL1
SCHEMBL21178647 0.80 RET (0.65) RETHCKKDRPIK3CDABL1
SCHEMBL21178644 0.80 RET (0.65) RETHCKKDRPIK3CDABL1
SCHEMBL30382165 0.80 RET (0.65) RETHCKKDRPIK3CDABL1
SCHEMBL21179092 0.80 RET (0.69) RETHCKKDRPIK3CDABL1
SCHEMBL31640369 0.78 RET (0.65) RETHCKKDRPIK3CDABL1
SCHEMBL21178774 0.77 RET (1.00) RETHCKKDRPIK3CDABL1
SCHEMBL21178776 0.77 RET (1.00) RETHCKKDRPIK3CDABL1
SCHEMBL21184989 0.72 RET (0.69) RETHCKKDRPIK3CDABL1
SCHEMBL2434152 0.72 SRC (1.00) HCKKDRPIK3CDABL1EGFR

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
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-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
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 1/4885HCK 837/4885KDR 185/4885
US-11524963-B2 Substituted pyrazolo[3,4-d]pyrimidines as RET kinase inhibitors RET, ROR1, BRAF RET 1/4885HCK 801/4885KDR 178/4885

“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.

Send feedback