SCHEMBL20412693

SCHEMBL20412693

CN1CCN(C(=O)C(c2ccccc2)C2CCCN2C)CC1

nearest known ligand 0.71

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 7/20 0.71
CHRM1 P11229 5/20 0.56
HSD17B10 Q99714 1/20 0.48
CHRNB4 P30926 2/20 0.47
CHRNA3 P32297 2/20 0.47
CYP2D6 P10635 1/20 0.46

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
SCHEMBL26162988 0.88 CHRM3 (0.55) CHRM3CHRM1CHRNB4CHRNA3
SCHEMBL20412694 0.86 CHRM3 (0.53) CHRM3CHRNB4CHRNA3
SCHEMBL20202492 0.83 CHRM3 (1.00) CHRM3CHRM1HSD17B10
SCHEMBL20202491 0.82 CHRM3 (1.00) CHRM3CHRM1CYP2D6
SCHEMBL7593196 0.81 CHRM3 (0.55) CHRM3
SCHEMBL18199755 0.80 CHRM3 (1.00) CHRM3CHRM1
SCHEMBL3644854 0.77 CHRM3 (0.51) CHRM3
SCHEMBL1590282 0.76 CHRM1 (0.65) CHRM3CHRM1HSD17B10CYP2D6
SCHEMBL21033594 0.75
SCHEMBL8202170 0.75

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-20220119396-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRAZINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2022-04-21 US disclosed
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
WO-2018136661-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRAZINE COMPOUNDS AS RET KINASE INHIBITORS ANDREWS STEVEN W (US) 2018-07-26 WO 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 (3 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-20220119396-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRAZINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, ROR1 CHRM3 2859/4885CHRM1 2368/4885HSD17B10 3956/4885
US-20200055860-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRAZINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, ROR1 CHRM3 2859/4885CHRM1 2368/4885HSD17B10 3956/4885
US-11168090-B2 Substituted pyrazolo[1,5-a]pyrazines as RET kinase inhibitors RET, BRAF, ROR1 CHRM3 2831/4885CHRM1 2286/4885HSD17B10 3868/4885

“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.