SCHEMBL20069799

SCHEMBL20069799

COc1cccnc1C(=O)NC1(C)CCN(C)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 7/20 0.45
BRD4 O60885 1/20 0.44
BRPF1 P55201 1/20 0.44
SLC18A3 Q16572 1/20 0.43
SSTR4 P31391 1/20 0.42
CTSA P10619 1/20 0.42
HCRTR1 O43613 1/20 0.41
ADORA2A P29274 1/20 0.40
KDM4E B2RXH2 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HCN1 O60741 1/20 0.39
TP53 P04637 1/20 0.39
HCN4 Q9Y3Q4 1/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
DGAT2 Q96PD7 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA1A P35348 1/20 0.38

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
SCHEMBL21651965 0.87 RET (0.45) RETBRD4BRPF1CTSAHCRTR1
SCHEMBL20147642 0.87 RET (0.45) RETBRD4BRPF1SLC18A3CTSA
SCHEMBL20068962 0.85 RET (0.42) RETSSTR4PDE4APDE4BPDE4C
SCHEMBL20069794 0.84 RET (0.51) RETPDE4APDE4BPDE4CPDE4D
SCHEMBL20069773 0.84 RET (0.44) RETSSTR4CTSAPDE4APDE4B
SCHEMBL20068936 0.81 HCN1 (0.55) BRPF1HCN1TP53HCN4
SCHEMBL20069793 0.81 RET (0.46) RETSSTR4HCRTR1DGAT2
SCHEMBL20069777 0.78 P2RX7 (0.41) RETSSTR4PDE4APDE4BPDE4C
SCHEMBL20068979 0.78 RET (0.40) RETPDE4APDE4BPDE4CPDE4D
SCHEMBL20068934 0.78 HCN1 (0.44) RETHCN1TP53HCN4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180148445-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2018-05-31 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 (1 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-20180148445-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, RAF1 RET 1/4885BRD4 899/4885BRPF1 1845/4885

“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.