SCHEMBL20154520

SCHEMBL20154520

CN(C)CCCOc1ccc(CN2C3CC2CN(S)C3)cc1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.54
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
RET P07949 1/20 0.45
UTS2R Q9UKP6 5/20 0.44
LSS P48449 1/20 0.43

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
SCHEMBL20069800 0.89 HRH3 (0.55) HRH3KDM4EALDH1A1SMN1; SMN2RET
SCHEMBL22030561 0.86 HRH3 (0.56) HRH3KDM4EALDH1A1SMN1; SMN2RET
SCHEMBL20148614 0.85 HRH3 (0.52) HRH3KDM4EALDH1A1SMN1; SMN2RET
SCHEMBL9671156 0.71 KDM4E (0.83) HRH3KDM4EALDH1A1SMN1; SMN2LSS
SCHEMBL3583420 0.70 HRH3 (1.00) HRH3
SCHEMBL15033035 0.69 HRH3 (0.71) HRH3ALDH1A1UTS2R
SCHEMBL13375741 0.68 HRH3 (0.70) HRH3ALDH1A1UTS2R
SCHEMBL12359378 0.68 HRH3 (0.73) HRH3KDM4EALDH1A1SMN1; SMN2LSS
SCHEMBL13374361 0.68 HRH3 (0.68) HRH3ALDH1A1UTS2R
SCHEMBL110784 0.67 KEAP1 (0.83) HRH3KDM4EALDH1A1SMN1; SMN2LSS

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10172851-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors ARRAY BIOPHARMA INC. (US) 2019-01-08 US disclosed
US-20180133213-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2018-05-17 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 (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-10172851-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors RET, ROR1, BRAF HRH3 1148/4885KDM4E 889/4885ALDH1A1 2868/4885
US-20180133213-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF HRH3 1148/4885KDM4E 889/4885ALDH1A1 2868/4885

“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.