SCHEMBL21159004

SCHEMBL21159004

CS(=S)N1CC2CC(C1)N2C(=O)c1cccnc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.46
CHRNB2 P17787 1/20 0.45
CHRNB4 P30926 1/20 0.45
CHRNA3 P32297 1/20 0.45
CHRNA7 P36544 1/20 0.45
CHRNA4 P43681 1/20 0.45
TDP1 Q9NUW8 2/20 0.42
POLB P06746 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MMP2 P08253 2/20 0.42
ANPEP P15144 2/20 0.42
MAPK1 P28482 1/20 0.41
LMNA P02545 3/20 0.41
HTT P42858 2/20 0.41
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL20069578 0.83 PIK3CD (0.51) PIK3CDCHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL20160461 0.80 PIK3CD (0.48) PIK3CDCHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL20148706 0.80 PIK3CD (0.54) PIK3CDCHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL23555022 0.78 PIK3CD (0.52) PIK3CDCHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL23555258 0.70 KCNK3 (0.41)
SCHEMBL13866423 0.68 CHRNB2 (0.62) PIK3CDCHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL14671689 0.68 ALDH1A1 (0.56) PIK3CDCHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL31350763 0.67 L3MBTL1 (0.46) PIK3CDCHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL10243852 0.67 KMT2A (0.47) POLBALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL17350782 0.67 KMT2A (0.47) POLBALDH1A1LMNAHTTSMN1; SMN2

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-10555944-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors ELI LILLY AND COMPANY (US) 2020-02-11 US disclosed
US-20190183886-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2019-06-20 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-10555944-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors RET, ROR1, BRAF PIK3CD 1191/4885CHRNB2 2276/4885CHRNB4 1708/4885
US-20190183886-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF PIK3CD 1191/4885CHRNB2 2276/4885CHRNB4 1708/4885

“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.