SCHEMBL20148063

SCHEMBL20148063

COc1cc(OC)nc(C(=O)NC2(C)CCN(C(C)S)CC2)n1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.41
RET P07949 4/20 0.39
CTSA P10619 1/20 0.35
CYP1A2 P05177 1/20 0.34
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 1/20 0.33
NTRK1 P04629 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
MGLL Q99685 2/20 0.32
GRM5 P41594 1/20 0.31
SMYD2 Q9NRG4 1/20 0.31
LMNA P02545 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL20147633 0.90 MCHR1 (0.42) MCHR1RETCTSACYP1A2KDM4E
SCHEMBL20070353 0.84 RET (0.42) MCHR1RETCTSACYP1A2KDM4E
SCHEMBL21651995 0.81 MCHR1 (0.45) MCHR1RETCTSACYP1A2KDM4E
SCHEMBL20158548 0.78 EGLN1 (0.44) MCHR1RETEGLN1
SCHEMBL20147638 0.77 RET (0.43) MCHR1RETKDM4EALDH1A1EGLN1
SCHEMBL20205976 0.75 RET (0.40) MCHR1RETKDM4EALDH1A1GRM5
SCHEMBL20147629 0.75 RET (0.37) MCHR1RETKDM4EALDH1A1MGLL
SCHEMBL20158441 0.73 BDKRB1 (0.39) MCHR1
SCHEMBL20158859 0.73 MCHR1 (0.39) MCHR1RET
SCHEMBL20158753 0.71 RET (0.37) RET

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-10441581-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors ARRAY BIOPHARMA INC. (US) 2019-10-15 US disclosed
US-20180133207-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 (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-10441581-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors RET, BRAF, RAF1 MCHR1 1063/4885RET 1/4885CTSA 4544/4885
US-20180133207-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, RAF1 MCHR1 1063/4885RET 1/4885CTSA 4544/4885

“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.