SCHEMBL20970609

SCHEMBL20970609

CC(S)N1CCN(C(=O)c2cnn(C)c2)CC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 6/20 0.44
▸ PROKR1 Q8TCW9 3/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ GRN P28799 1/20 0.40
▸ SORT1 Q99523 1/20 0.40
▸ CYP11B1 P15538 1/20 0.39
▸ CYP11B2 P19099 1/20 0.39
▸ CHRNA7 P36544 1/20 0.39
▸ TLR9 Q9NR96 1/20 0.38
▸ TLR8 Q9NR97 1/20 0.38
▸ TLR7 Q9NYK1 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ GSK3B P49841 1/20 0.38
▸ DYRK1A Q13627 1/20 0.38
▸ RET P07949 1/20 0.37

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
SCHEMBL18705015 0.88 HRH3 (0.56) HRH3PROKR1SMN1; SMN2RAB9ACHRNA7
SCHEMBL18390549 0.81 POLB (0.54) PROKR1SMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL17714090 0.80 PROKR1 (0.48) PROKR1SMN1; SMN2RAB9AGRNSORT1
SCHEMBL2386331 0.79 PROKR1 (0.57) PROKR1SMN1; SMN2RAB9AMEN1ALDH1A1
SCHEMBL12108484 0.79 PROKR1 (0.57) PROKR1SMN1; SMN2RAB9AALDH1A1
SCHEMBL27397141 0.78 PROKR1 (0.47) PROKR1SMN1; SMN2RAB9AGRNSORT1
SCHEMBL23692932 0.77 PROKR1 (0.49) HRH3PROKR1SMN1; SMN2RAB9AGRN
SCHEMBL27153827 0.76 AKR1C1 (0.49) PROKR1SMN1; SMN2RAB9ACYP11B1CYP11B2
SCHEMBL29051582 0.75 SMN1; SMN2 (0.50) PROKR1SMN1; SMN2RAB9AGRNSORT1
SCHEMBL9104445 0.75 SMN1; SMN2 (0.53) PROKR1SMN1; SMN2RAB9AALDH1A1KMT2A

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-20190127375-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2019-05-02 — — 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-20190127375-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF HRH3 1340/4885PROKR1 508/4885SMN1; SMN2 989/4885

“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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