SCHEMBL30175194

SCHEMBL30175194

Nc1ncnc2c1c(-c1cc(C3CC3)on1)cn2C1COC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 19/20 1.00
▸ CYP1A2 P05177 1/20 0.51
▸ HCK P08631 1/20 0.51
▸ FGR P09769 1/20 0.51
▸ RPS6KB1 P23443 1/20 0.51
▸ FLT4 P35916 1/20 0.51
▸ KDR P35968 1/20 0.51
▸ MAP2K2 P36507 1/20 0.51
▸ MAP2K1 Q02750 1/20 0.51
▸ RPS6KA1 Q15418 1/20 0.51
▸ NEK7 Q8TDX7 1/20 0.50

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
SCHEMBL21187589 1.00 RET (1.00) RETCYP1A2HCKFGRRPS6KB1
SCHEMBL21178849 0.92 RET (1.00) RETNEK7
SCHEMBL21187717 0.90 RET (1.00) RETHCKNEK7
SCHEMBL30175197 0.90 RET (1.00) RETHCKNEK7
SCHEMBL21178797 0.90 RET (1.00) RETKDR
SCHEMBL21187718 0.90 RET (1.00) RET
SCHEMBL21178933 0.84 RET (1.00) RETKDRNEK7
SCHEMBL21178847 0.84 RET (1.00) RETKDRNEK7
SCHEMBL21178877 0.84 RET (1.00) RETKDRNEK7
SCHEMBL22604887 0.84 RET (1.00) RETKDRNEK7

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 1 patent. 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-11603374-B2 Substituted pyrrolo[2,3-d]pyrimidines compounds as ret kinase inhibitors RET, ROR1, FGFR3 RET 1/4885CYP1A2 3782/4885HCK 526/4885

“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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