SCHEMBL22857039

SCHEMBL22857039

COc1ncc(OC2CN(C(C)S)C2)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RET P07949 3/20 0.38
ACACB O00763 4/20 0.36
LMNA P02545 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
APEX1 P27695 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PIK3CD O00329 4/20 0.34
PIK3CA P42336 4/20 0.34
SCN9A Q15858 2/20 0.33
PDGFRB P09619 1/20 0.32
PDGFRA P16234 1/20 0.32

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
SCHEMBL20069359 0.90 RET (0.39) RETACACBLMNACYP2C9TSHR
SCHEMBL20152047 0.82 HRH3 (0.45) RETACACBPIK3CDPIK3CA
SCHEMBL20147969 0.82 RET (0.41) RETLMNACYP2C9TSHRAPEX1
SCHEMBL20069364 0.80 HRH3 (0.44) RET
SCHEMBL20158636 0.78 ACACB (0.36) RETACACBPDGFRBPDGFRA
SCHEMBL20069356 0.76 PIK3CD (0.42) RETACACBPIK3CDPIK3CA
SCHEMBL22856983 0.75 OXTR (0.41) ACACB
SCHEMBL20069138 0.74 RET (0.40) RETACACBPIK3CDPIK3CA
SCHEMBL29594733 0.73 IKBKB (0.44) PDGFRBPDGFRA
SCHEMBL20321361 0.73 IKBKB (0.44) PDGFRBPDGFRA

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 1/4885ACACB 4835/4885LMNA 1968/4885

“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.