SCHEMBL20148017

SCHEMBL20148017

CC1(C(=O)NCC2CC2)CCN(S)CC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.43
CYP3A4 P08684 6/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 2/20 0.43
TDP1 Q9NUW8 1/20 0.39
TSHR P16473 4/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
RET P07949 1/20 0.36
EPHX1 P07099 4/20 0.33
EPHX2 P34913 4/20 0.33
KCNH2 Q12809 1/20 0.33
CACNA1I Q9P0X4 1/20 0.33
LMNA P02545 1/20 0.32
F2 P00734 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
GNRHR P30968 1/20 0.32

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
SCHEMBL20069779 0.85 CYP3A4 (0.44) SMN1; SMN2CYP3A4ALDH1A1HPGDTDP1
SCHEMBL20158595 0.82 RET (0.41) SMN1; SMN2CYP3A4ALDH1A1HPGDTSHR
SCHEMBL20158498 0.81 SMN1; SMN2 (0.43) SMN1; SMN2CYP3A4ALDH1A1HPGDTDP1
SCHEMBL19198339 0.78 EPHX1 (0.44) SMN1; SMN2CYP3A4ALDH1A1HPGDTDP1
SCHEMBL20205998 0.77 SMN1; SMN2 (0.40) SMN1; SMN2CYP3A4ALDH1A1HPGDTDP1
SCHEMBL18377462 0.77 CYP3A4 (0.42) SMN1; SMN2CYP3A4ALDH1A1HPGDTDP1
SCHEMBL20069680 0.76 RET (0.38) SMN1; SMN2CYP3A4ALDH1A1HPGDKDM4E
SCHEMBL20206025 0.73 HRH3 (0.39) SMN1; SMN2CYP3A4ALDH1A1HPGDRET
SCHEMBL20381995 0.72 RET (0.37) SMN1; SMN2CYP3A4HPGDRETLMNA
SCHEMBL19706811 0.70 SMN1; SMN2 (0.37) SMN1; SMN2CYP3A4ALDH1A1HPGDTDP1

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 SMN1; SMN2 646/4885CYP3A4 3760/4885ALDH1A1 2547/4885
US-20180133207-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, RAF1 SMN1; SMN2 646/4885CYP3A4 3760/4885ALDH1A1 2547/4885

“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.