SCHEMBL21178774

SCHEMBL21178774

CC(C)n1nc(-c2cc([C@@H](C)O)on2)c2c(N)ncnc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 13/20 1.00
▸ HCK P08631 8/20 0.69
▸ KDR P35968 8/20 0.69
▸ CYP1A2 P05177 1/20 0.69
▸ FGR P09769 1/20 0.69
▸ RPS6KB1 P23443 1/20 0.69
▸ FLT4 P35916 1/20 0.69
▸ MAP2K2 P36507 1/20 0.69
▸ MAP2K1 Q02750 1/20 0.69
▸ RPS6KA1 Q15418 1/20 0.69
▸ PIK3CD O00329 7/20 0.57
▸ ABL1 P00519 7/20 0.57
▸ EGFR P00533 7/20 0.57
▸ SRC P12931 7/20 0.57
▸ PIK3CA P42336 7/20 0.57
▸ PIK3CB P42338 7/20 0.57
▸ MTOR P42345 7/20 0.57
▸ PIK3CG P48736 7/20 0.57
▸ EPHB4 P54760 7/20 0.57
▸ PRKDC P78527 7/20 0.57

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
SCHEMBL21178776 1.00 RET (1.00) RETHCKKDRCYP1A2FGR
SCHEMBL18518260 0.90 RET (1.00) RETHCKKDRCYP1A2FGR
SCHEMBL18518585 0.82 RET (1.00) RETHCKKDRCYP1A2FGR
SCHEMBL18518842 0.82 RET (1.00) RETHCKKDRCYP1A2FGR
SCHEMBL29572311 0.81 RET (1.00) RETHCKKDRCYP1A2FGR
SCHEMBL18518281 0.81 RET (1.00) RETHCKKDRCYP1A2FGR
SCHEMBL18518387 0.80 RET (1.00) RETHCKKDRCYP1A2FGR
SCHEMBL18518409 0.80 RET (1.00) RETHCKKDRCYP1A2FGR
SCHEMBL18518263 0.79 RET (1.00) RETHCKKDRCYP1A2FGR
SCHEMBL18518279 0.79 RET (0.74) RETHCKKDRCYP1A2FGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.

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