SCHEMBL22857095

SCHEMBL22857095

CC(C)N1CCC(CN2CCN(C)C(CCC(C)N3CCC(NC(=O)c4ncccc4Cl)C(O)C3)C2)(NC(=O)c2ncccc2Cl)CC1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RET P07949 12/20 0.40
DYRK1A Q13627 1/20 0.33
HRH3 Q9Y5N1 1/20 0.32
F10 P00742 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ACKR3 P25106 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL20147665 0.80 RET (0.53) RETHRH3
SCHEMBL20147664 0.78 RET (0.45) RETDYRK1AHRH3F10ACKR3
SCHEMBL20147662 0.76 RET (0.51) RETKDM4EALDH1A1
SCHEMBL25504317 0.74 RET (0.52) RET
SCHEMBL20147997 0.73 RET (0.44) RETDYRK1AF10MEN1KMT2A
SCHEMBL20147620 0.72 RET (0.46) RET
SCHEMBL20069602 0.72 RET (0.55) RET
SCHEMBL20068971 0.72 RET (0.46) RETMEN1KMT2A
SCHEMBL20147655 0.70 RET (0.48) RET
SCHEMBL25504315 0.70 RET (0.44) RETALDH1A1

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-10881652-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors ARRAY BIOPHARMA INC. (US) 2021-01-05 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-10881652-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors RET, BRAF, RAF1 RET 1/4885DYRK1A 231/4885HRH3 1000/4885

“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.