SCHEMBL20970566

SCHEMBL20970566

CC(S)N1CCN(CCc2ccccn2)CC1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.52
THRB P10828 2/20 0.49
HRH3 Q9Y5N1 2/20 0.47
LMNA P02545 1/20 0.47
ABCB1 P08183 1/20 0.44
ABCC1 P33527 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.44
OPRM1 P35372 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL12779114 0.88 TP53 (0.54) TP53THRBHRH3LMNAABCB1
SCHEMBL16026529 0.84 THRB (0.61) TP53THRBHRH3ABCB1ABCC1
SCHEMBL29922137 0.84 THRB (0.61) TP53THRBHRH3ABCB1ABCC1
SCHEMBL12359541 0.82 THRB (0.56) TP53THRBHRH3ABCB1ABCC1
SCHEMBL18390916 0.80 THRB (0.54) TP53THRBHRH3ABCB1ABCC1
SCHEMBL868571 0.78 HRH3 (0.56) TP53THRBHRH3SIGMAR1CYP2D6
SCHEMBL1305923 0.77 HRH1 (0.59) TP53THRBHRH3ABCB1ABCC1
SCHEMBL12427505 0.77 THRB (0.54) TP53THRBHRH3ABCB1ABCC1
SCHEMBL20382067 0.77 SLC6A3 (0.58) SIGMAR1ADRA1DADRA1AADRA1B
SCHEMBL3939455 0.77 HRH3 (0.55) TP53THRBHRH3SIGMAR1ADRA1D

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 TP53 1441/4885THRB 622/4885HRH3 1340/4885

“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.