SCHEMBL30128597

SCHEMBL30128597

CC(C)n1nc(-c2cc(-c3ccccc3)nn2C2CCCCO2)c2c(N)ncnc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 12/20 0.56
▸ SRC P12931 8/20 0.48
▸ ABL1 P00519 6/20 0.48
▸ HCK P08631 5/20 0.48
▸ KDR P35968 5/20 0.48
▸ PIK3CD O00329 5/20 0.48
▸ PIK3CA P42336 5/20 0.48
▸ PIK3CB P42338 5/20 0.48
▸ PIK3CG P48736 5/20 0.48
▸ PRKDC P78527 5/20 0.48
▸ EGFR P00533 4/20 0.48
▸ MTOR P42345 4/20 0.48
▸ EPHB4 P54760 4/20 0.48
▸ PI4KB Q9UBF8 4/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ FGR P09769 1/20 0.48
▸ RPS6KB1 P23443 1/20 0.48
▸ FLT4 P35916 1/20 0.48
▸ MAP2K2 P36507 1/20 0.48
▸ MAP2K1 Q02750 1/20 0.48

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
SCHEMBL21184915 1.00 RET (0.56) RETSRCABL1HCKKDR
SCHEMBL21178722 0.85 RET (0.73) RETSRCABL1HCKKDR
SCHEMBL21178661 0.85 RET (0.57) RETSRCABL1HCKKDR
SCHEMBL30382177 0.85 RET (0.57) RETSRCABL1HCKKDR
SCHEMBL30128621 0.85 RET (0.58) RETSRCABL1HCKKDR
SCHEMBL21184912 0.85 RET (0.58) RETSRCABL1HCKKDR
SCHEMBL21184913 0.83 RET (0.57) RETSRCABL1HCKKDR
SCHEMBL30128651 0.83 RET (0.57) RETSRCABL1HCKKDR
SCHEMBL21178706 0.82 RET (0.54) RETSRCABL1HCKKDR
SCHEMBL21179070 0.82 RET (0.54) RETSRCABL1HCKKDR

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-11524963-B2 Substituted pyrazolo[3,4-d]pyrimidines as RET kinase inhibitors ARRAY BIOPHARMA INC. (US) 2022-12-13 — — 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-11524963-B2 Substituted pyrazolo[3,4-d]pyrimidines as RET kinase inhibitors RET, ROR1, BRAF RET 1/4885SRC 183/4885ABL1 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.

Send feedback