SCHEMBL20154518

SCHEMBL20154518

COc1ccc(CN2C3CC2CN(SC)C3)cc1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.48
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
CMA1 P23946 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
LTA4H P09960 1/20 0.41

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
SCHEMBL18713239 0.80 RET (0.48)
SCHEMBL20069809 0.79 ALDH1A1 (0.48) SIGMAR1ALDH1A1KDM4EMAPTALOX15
Hydrochloric Acid SCHEMBL31003019 0.76 SIGMAR1 (0.44) SIGMAR1ALDH1A1KDM4EMAPTALOX15
SCHEMBL4851071 0.73 LTA4H (0.51) SIGMAR1ALDH1A1KDM4EMAPTALOX15
SCHEMBL24135073 0.73 SIGMAR1 (0.50) SIGMAR1ALDH1A1HPGDKDM4EMAPT
SCHEMBL31003008 0.72 ALDH1A1 (0.48) ALDH1A1HPGDMAPTLTA4H
SCHEMBL22031239 0.72 RET (0.47)
SCHEMBL20328021 0.72 SIGMAR1 (0.68) SIGMAR1ALDH1A1
SCHEMBL22812097 0.70 PDE10A (0.33)
SCHEMBL13889211 0.70 KDM4E (0.55) SIGMAR1ALDH1A1KDM4EMAPTALOX15

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 SIGMAR1 3863/4885ALDH1A1 2868/4885HPGD 3857/4885
US-20180133213-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF SIGMAR1 3863/4885ALDH1A1 2868/4885HPGD 3857/4885

“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.