SCHEMBL20147973

SCHEMBL20147973

CC1(NC(=O)C2CC2)CCN(S)CC1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.44
CHRM1 P11229 1/20 0.43
KDM5A P29375 1/20 0.41
SMYD3 Q9H7B4 1/20 0.33
ALDH1A1 P00352 2/20 0.32
POLB P06746 1/20 0.32
HPGD P15428 1/20 0.32
RET P07949 1/20 0.31

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
SCHEMBL20069715 0.84 DRD2 (0.45) DRD2CHRM1KDM5ASMYD3ALDH1A1
SCHEMBL20147474 0.79 KDM5A (0.44) DRD2CHRM1KDM5AALDH1A1
SCHEMBL20069694 0.77 KDM5A (0.45) DRD2CHRM1KDM5ASMYD3ALDH1A1
SCHEMBL17672878 0.75 KDM5A (0.52) DRD2CHRM1KDM5ASMYD3ALDH1A1
SCHEMBL17848797 0.74 PTPN2 (0.48) CHRM1KDM5AHPGD
SCHEMBL20224884 0.74 POLB (0.46) DRD2CHRM1KDM5AALDH1A1POLB
SCHEMBL22856999 0.73 DRD2 (0.46) DRD2CHRM1KDM5AALDH1A1RET
SCHEMBL20147472 0.73 KDM5A (0.48) DRD2CHRM1KDM5A
Hydrochloric Acid SCHEMBL17848602 0.73 POLB (0.44) DRD2CHRM1KDM5AALDH1A1POLB
SCHEMBL22856996 0.72 EPHX1 (0.41) CHRM1ALDH1A1POLBRET

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-10441581-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors ARRAY BIOPHARMA INC. (US) 2019-10-15 US disclosed
US-20180133207-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-10441581-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors RET, BRAF, RAF1 DRD2 3425/4885CHRM1 2035/4885KDM5A 902/4885
US-20180133207-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, RAF1 DRD2 3425/4885CHRM1 2035/4885KDM5A 902/4885

“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.