SCHEMBL20205976

SCHEMBL20205976

Cc1ccnc(C(=O)NC2(C)CCN(C(C)S)CC2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 5/20 0.40
GRM5 P41594 2/20 0.32
MCHR1 Q99705 1/20 0.32
KDM4E B2RXH2 4/20 0.31
ALDH1A1 P00352 3/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC11 Q96DB2 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HDAC9 Q9UKV0 1/20 0.31
HDAC5 Q9UQL6 1/20 0.31
SORD Q00796 1/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31

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
SCHEMBL20147634 0.91 RET (0.41) RETGRM5MCHR1KDM4EALDH1A1
SCHEMBL20070356 0.84 RET (0.42) RETGRM5KDM4EALDH1A1HDAC3
SCHEMBL20148012 0.81 RET (0.41) RETMCHR1KMT2ACNR2
SCHEMBL21651990 0.81 RET (0.43) RETGRM5MCHR1KDM4EALDH1A1
SCHEMBL20148013 0.78 RET (0.42) RETMCHR1PDE4APDE4BPDE4C
SCHEMBL20158753 0.77 RET (0.37) RETPDE4APDE4BPDE4CPDE4D
SCHEMBL25504248 0.77 RET (0.40) RETGRM5PDE4APDE4BPDE4C
SCHEMBL20147629 0.76 RET (0.37) RETMCHR1KDM4EALDH1A1MAPT
SCHEMBL20147638 0.76 RET (0.43) RETMCHR1KDM4EALDH1A1MAPT
SCHEMBL20148063 0.75 MCHR1 (0.41) RETGRM5MCHR1KDM4EALDH1A1

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 1 patent. 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

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 1/4885GRM5 1363/4885MCHR1 1063/4885

“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.