SCHEMBL20206001

SCHEMBL20206001

CC(C)CNC(=O)C1(CN(C)C)CCN(C(C)C)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 2/20 0.39
HRH3 Q9Y5N1 2/20 0.35
CYP2C19 P33261 2/20 0.33
CYP2D6 P10635 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MMP1 P03956 2/20 0.31
MMP9 P14780 1/20 0.31
MMP13 P45452 1/20 0.31
KDM4E B2RXH2 2/20 0.31
MMP8 P22894 1/20 0.30
HSD17B10 Q99714 1/20 0.30
ROCK2 O75116 1/20 0.30
PRKACA P17612 1/20 0.30
PRKACG P22612 1/20 0.30
PRKACB P22694 1/20 0.30
LIMK1 P53667 1/20 0.30
LIMK2 P53671 1/20 0.30
RECQL P46063 1/20 0.30
POLB P06746 1/20 0.30
FPR3 P25089 1/20 0.30

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
SCHEMBL20069781 0.87 CYP2C19 (0.41) RETCYP2C19CYP2D6SMN1; SMN2MMP1
SCHEMBL20070272 0.84 RET (0.36) RETHRH3CYP2C19CYP2D6SMN1; SMN2
SCHEMBL20148014 0.84 RET (0.37) RETHRH3CYP2C19CYP2D6SMN1; SMN2
SCHEMBL20158746 0.82 RET (0.45) RETHRH3MMP1MMP9MMP13
SCHEMBL20626714 0.81 RET (0.45) RETHRH3
SCHEMBL20158492 0.79 RET (0.40) RETHRH3CYP2C19CYP2D6KDM4E
SCHEMBL20205986 0.79 RET (0.40) RETHRH3CYP2C19CYP2D6KDM4E
SCHEMBL20147921 0.78 RET (0.44) RET
SCHEMBL20147676 0.78 RET (0.41) RETHRH3CYP2C19CYP2D6KDM4E
SCHEMBL25504417 0.77 CYP2C19 (0.38) RETHRH3CYP2C19CYP2D6SMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200383966-A9 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2020-12-10 US disclosed
US-20200030311-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA, INC. 2020-01-30 US disclosed
US-20180148445-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2018-05-31 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 (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-20200383966-A9 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, RAF1 RET 1/4885HRH3 1000/4885CYP2C19 4137/4885
US-20180148445-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, RAF1 RET 1/4885HRH3 1000/4885CYP2C19 4137/4885
US-20200030311-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, RAF1 RET 1/4885HRH3 1000/4885CYP2C19 4137/4885

“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.