SCHEMBL21187554

SCHEMBL21187554

CC(n1cc(-c2cc(C3CC3)on2)c2c(N)ncnc21)C(F)(F)F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 20/20 1.00
▸ CYP1A2 P05177 1/20 0.55
▸ HCK P08631 1/20 0.55
▸ FGR P09769 1/20 0.55
▸ RPS6KB1 P23443 1/20 0.55
▸ FLT4 P35916 1/20 0.55
▸ KDR P35968 1/20 0.55
▸ MAP2K2 P36507 1/20 0.55
▸ MAP2K1 Q02750 1/20 0.55
▸ RPS6KA1 Q15418 1/20 0.55

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
SCHEMBL30175199 1.00 RET (1.00) RETCYP1A2HCKFGRRPS6KB1
SCHEMBL21178884 0.88 RET (1.00) RETCYP1A2HCKFGRRPS6KB1
SCHEMBL30175195 0.84 RET (1.00) RETCYP1A2HCKFGRRPS6KB1
SCHEMBL21187556 0.84 RET (1.00) RETCYP1A2HCKFGRRPS6KB1
SCHEMBL21178800 0.80 RET (1.00) RETCYP1A2HCKFGRRPS6KB1
SCHEMBL31639354 0.80 RET (0.79) RETCYP1A2HCKFGRRPS6KB1
SCHEMBL21178849 0.77 RET (1.00) RET
SCHEMBL30175192 0.76 RET (1.00) RETCYP1A2HCKFGRRPS6KB1
SCHEMBL21187590 0.76 RET (1.00) RETCYP1A2HCKFGRRPS6KB1
SCHEMBL21187718 0.75 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 4 patents. 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
US-20200339589-A1 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA, INC. 2020-10-29 — — US disclosed
US-20200339589-A1 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA, INC. 2020-10-29 — — US disclosed
WO-2019143977-A1 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES 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-20200339589-A1 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, FGFR3 RET 1/4885CYP1A2 3782/4885HCK 526/4885
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.

Send feedback