SCHEMBL20965338

SCHEMBL20965338

CC(C)N1CCC(C(=O)NCCC(F)(F)F)C1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.43
CHRM4 P08173 3/20 0.38
EPHX2 P34913 1/20 0.38
ITGB3 P05106 2/20 0.37
ITGA2B P08514 2/20 0.37
F2R P25116 2/20 0.37
NOTUM Q6P988 1/20 0.36
RET P07949 2/20 0.35
ALDH1A1 P00352 2/20 0.34
TSHR P16473 2/20 0.34
MAPT P10636 2/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GAA P10253 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL20328007 0.92 HSD17B10 (0.45) HSD17B10CHRM4EPHX2ALDH1A1TSHR
SCHEMBL18389975 0.81 ITGB3 (0.46) HSD17B10CHRM4ITGB3ITGA2BF2R
SCHEMBL21779858 0.79 BCHE (0.47) HSD17B10EPHX2ALDH1A1MAPTSMN1; SMN2
SCHEMBL21779899 0.79 BCHE (0.47) HSD17B10EPHX2ALDH1A1MAPTSMN1; SMN2
SCHEMBL23561214 0.79 BCHE (0.47) HSD17B10EPHX2ALDH1A1MAPTSMN1; SMN2
SCHEMBL18390102 0.78 ITGB3 (0.42) HSD17B10ITGB3ITGA2BF2RRET
SCHEMBL26171345 0.78 HSD17B10 (0.46) HSD17B10EPHX2ALDH1A1TSHRMAPT
SCHEMBL18713001 0.77 HSD17B10 (0.44) HSD17B10SMN1; SMN2
SCHEMBL20965465 0.75 SMN1; SMN2 (0.47) HSD17B10CHRM4EPHX2TSHRMAPT
SCHEMBL21452571 0.74 BCHE (0.41) HSD17B10NOTUMALDH1A1TSHRSMN1; 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 4 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
US-20190127375-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2019-05-02 US disclosed
US-20190127373-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2019-05-02 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 (4 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-20190127373-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF HSD17B10 3963/4885CHRM4 2243/4885EPHX2 2061/4885
US-20190127375-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF HSD17B10 3963/4885CHRM4 2243/4885EPHX2 2061/4885
US-20200055860-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRAZINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, ROR1 HSD17B10 3956/4885CHRM4 2502/4885EPHX2 2422/4885
US-11168090-B2 Substituted pyrazolo[1,5-a]pyrazines as RET kinase inhibitors RET, BRAF, ROR1 HSD17B10 3868/4885CHRM4 2439/4885EPHX2 2338/4885

“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.