SCHEMBL21733032

SCHEMBL21733032

COCC(C)NC(=O)C1CCN(C(C)S)CC1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 2/20 0.40
ACKR3 P25106 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 1/20 0.38
CYP3A4 P08684 2/20 0.36
RET P07949 1/20 0.36

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
SCHEMBL24308688 0.88 GAA (0.47) GAASMN1; SMN2ALDH1A1ACKR3MEN1
SCHEMBL18390110 0.84 GAA (0.48) GAASMN1; SMN2ALDH1A1ACKR3MEN1
SCHEMBL20349560 0.80 SMN1; SMN2 (0.43) GAASMN1; SMN2MEN1KMT2ACYP3A4
SCHEMBL19230133 0.80 LMNA (0.44) GAASMN1; SMN2L3MBTL1POLB
SCHEMBL16727368 0.77 POLB (0.58) GAASMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL18714403 0.76 SMN1; SMN2 (0.47) GAASMN1; SMN2ALDH1A1ACKR3L3MBTL1
SCHEMBL20381981 0.73 RET (0.37) ALDH1A1MEN1KMT2AKDM4EL3MBTL1
SCHEMBL20381982 0.72 RET (0.39) GAASMN1; SMN2ALDH1A1KMT2ACYP3A4
SCHEMBL18284698 0.72 ACACB (0.45) GAAALDH1A1MEN1KMT2AKDM4E
SCHEMBL20970520 0.71 KMT2A (0.51) GAASMN1; SMN2MEN1KMT2AKDM4E

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-11168090-B2 Substituted pyrazolo[1,5-a]pyrazines as RET kinase inhibitors ARRAY BIOPHARMA INC. (US) 2021-11-09 US disclosed
US-20200055860-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRAZINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC 2020-02-20 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-20200055860-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRAZINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, ROR1 GAA 3356/4885SMN1; SMN2 1094/4885ALDH1A1 3241/4885
US-11168090-B2 Substituted pyrazolo[1,5-a]pyrazines as RET kinase inhibitors RET, BRAF, ROR1 GAA 3426/4885SMN1; SMN2 1115/4885ALDH1A1 3159/4885

“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.