SCHEMBL20069014

SCHEMBL20069014

CC(C)N1CCC(C)(NC(=O)C2(N)CCOCC2)CC1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.36
HRH3 Q9Y5N1 11/20 0.36
MMP13 P45452 2/20 0.32
MMP2 P08253 1/20 0.32
HCN1 O60741 1/20 0.32
HCN4 Q9Y3Q4 1/20 0.32
CTSC P53634 2/20 0.32
KCNH2 Q12809 1/20 0.31
LTB4R Q15722 1/20 0.31
LTB4R2 Q9NPC1 1/20 0.31
MMP1 P03956 1/20 0.31
MMP9 P14780 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP2D6 P10635 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
SCHEMBL20070401 0.90 CYP2D6 (0.34) RETHRH3MMP13MMP2MMP1
SCHEMBL20147529 0.87 MMP9 (0.35) RETHRH3MMP13MMP2HCN4
SCHEMBL20069498 0.87 MMP9 (0.35) RETHRH3MMP13MMP2MMP1
SCHEMBL22857016 0.84 RET (0.37) RETHRH3CTSCKCNH2LTB4R
SCHEMBL20069015 0.82 HRH3 (0.33) HRH3MMP13MMP2HCN1HCN4
SCHEMBL20069707 0.81 RET (0.38) RETHRH3MMP13MMP2HCN1
SCHEMBL20206064 0.80 RET (0.40) RETMMP13CTSCKCNH2LTB4R
SCHEMBL20147532 0.75 MMP9 (0.35) RETHRH3MMP13MMP2MMP1
SCHEMBL20158550 0.75 RET (0.42) RETHRH3HCN1HCN4
SCHEMBL20147531 0.74 MMP9 (0.34) RETHRH3MMP13MMP2MMP1

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
WO-2018071454-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ANDREWS STEVEN W (US) 2018-04-19 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 (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-20200383966-A9 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, RAF1 RET 1/4885HRH3 1000/4885MMP13 3136/4885
US-20200030311-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, RAF1 RET 1/4885HRH3 1000/4885MMP13 3136/4885

“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.