SCHEMBL20148581

SCHEMBL20148581

CC(C)N1CCN(C(=O)C(N)c2cccc(Cl)c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.54
CYP3A4 P08684 3/20 0.54
CHRM1 P11229 2/20 0.49
CACNA2D1 P54289 3/20 0.47
CACNA1B Q00975 3/20 0.47
CACNB1 Q02641 3/20 0.47
CACNA1C Q13936 2/20 0.47
LMNA P02545 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
RECQL P46063 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CACNA1G O43497 1/20 0.47
HRH3 Q9Y5N1 1/20 0.46
DPP4 P27487 1/20 0.45
DPP7 Q9UHL4 1/20 0.45
CHRNA7 P36544 1/20 0.44

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
SCHEMBL21158863 0.90 ROCK2 (0.53) ROCK2CYP3A4CACNA2D1CACNA1BCACNB1
SCHEMBL20070962 0.86 ROCK2 (0.56) ROCK2CYP3A4CHRM1LMNATSHR
SCHEMBL18704995 0.85 ROCK2 (0.53) ROCK2CYP3A4CHRM1CACNA2D1CACNA1B
SCHEMBL22812206 0.84 ROCK2 (0.56) ROCK2CYP3A4CACNA2D1CACNA1BCACNB1
SCHEMBL18704999 0.83 CHRM1 (0.63) ROCK2CYP3A4CHRM1HRH3
SCHEMBL23555230 0.83 ROCK2 (0.56) ROCK2CYP3A4CHRM1CACNA2D1CACNA1B
SCHEMBL21733022 0.82 DPP4 (0.47) ROCK2CYP3A4CHRM1HRH3DPP4
SCHEMBL20148580 0.82 CHRM1 (0.47) CHRM1CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL20153205 0.75 ROCK2 (0.51) ROCK2CYP3A4CACNA2D1CACNA1BCACNB1
SCHEMBL20070960 0.75 HRH3 (0.51) CHRM1CACNA2D1CACNA1BCACNB1CACNA1C

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240066029-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2024-02-29 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
US-20180133200-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2018-05-17 US disclosed
US-20180133213-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2018-05-17 US disclosed
US-20180134702-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2018-05-17 US disclosed
US-20180134702-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 (6 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-20180134702-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF ROCK2 581/4885CYP3A4 3158/4885CHRM1 2284/4885
US-20200055860-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRAZINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, ROR1 ROCK2 677/4885CYP3A4 3276/4885CHRM1 2368/4885
US-20180133200-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF ROCK2 581/4885CYP3A4 3158/4885CHRM1 2284/4885
US-11168090-B2 Substituted pyrazolo[1,5-a]pyrazines as RET kinase inhibitors RET, BRAF, ROR1 ROCK2 665/4885CYP3A4 3231/4885CHRM1 2286/4885
US-20180133213-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF ROCK2 581/4885CYP3A4 3158/4885CHRM1 2284/4885
US-20240066029-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF ROCK2 581/4885CYP3A4 3158/4885CHRM1 2284/4885

“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.