SCHEMBL21178701

SCHEMBL21178701

CC(C)n1nc(-c2noc(C3CC3)c2-c2ccn(C)n2)c2c(N)ncnc21

nearest known ligand 0.74

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 20/20 0.74
▸ CYP1A2 P05177 1/20 0.59
▸ HCK P08631 1/20 0.59
▸ FGR P09769 1/20 0.59
▸ RPS6KB1 P23443 1/20 0.59
▸ FLT4 P35916 1/20 0.59
▸ KDR P35968 1/20 0.59
▸ MAP2K2 P36507 1/20 0.59
▸ MAP2K1 Q02750 1/20 0.59
▸ RPS6KA1 Q15418 1/20 0.59

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
SCHEMBL21179050 0.87 RET (0.75) RETCYP1A2HCKFGRRPS6KB1
SCHEMBL30381942 0.87 RET (0.75) RETCYP1A2HCKFGRRPS6KB1
SCHEMBL21191306 0.85 RET (1.00) RET
SCHEMBL21179088 0.85 RET (0.73) RETCYP1A2HCKFGRRPS6KB1
SCHEMBL21178657 0.85 RET (0.59) RETCYP1A2HCKFGRRPS6KB1
SCHEMBL21178700 0.84 RET (0.61) RETCYP1A2HCKFGRRPS6KB1
SCHEMBL31639783 0.84 RET (0.59) RETCYP1A2HCKFGRRPS6KB1
SCHEMBL21179057 0.83 RET (0.72) RETCYP1A2HCKFGRRPS6KB1
SCHEMBL21191361 0.83 RET (1.00) RET
SCHEMBL29909576 0.83 RET (1.00) 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 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 1/4885CYP1A2 3823/4885HCK 837/4885
US-11524963-B2 Substituted pyrazolo[3,4-d]pyrimidines as RET kinase inhibitors RET, ROR1, BRAF RET 1/4885CYP1A2 3721/4885HCK 801/4885

“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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