SCHEMBL21652032

SCHEMBL21652032

CC(C)CNC(=O)CCN1CCN(C(=O)OC(C)(C)C)C(C)(C)C1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.38
NR1H2 P55055 1/20 0.37
GPR119 Q8TDV5 8/20 0.36
EPHX2 P34913 3/20 0.33
KDM4E B2RXH2 1/20 0.33
ACKR3 P25106 1/20 0.32
KAT2A Q92830 1/20 0.32
KAT2B Q92831 1/20 0.32
F2RL1 P55085 1/20 0.32
CYP2C19 P33261 1/20 0.32
CACNA1H O95180 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
SCHEMBL20070278 0.79 RET (0.51) RETCYP2C19
SCHEMBL9937728 0.78 CTSK (0.37) NR1H2EPHX2ACKR3F2RL1
SCHEMBL22118141 0.76 CTSK (0.36) NR1H2ACKR3F2RL1
SCHEMBL20205793 0.76 RET (0.50) RET
SCHEMBL20148022 0.76 RET (0.50) RETNR1H2
SCHEMBL21150506 0.75 CTSK (0.39) RETNR1H2EPHX2F2RL1
SCHEMBL29939292 0.70 CTSK (0.35) NR1H2F2RL1
SCHEMBL20069544 0.70 CTSK (0.33) RETNR1H2
SCHEMBL24421280 0.70 USP2 (0.46) NR1H2GPR119EPHX2F2RL1
SCHEMBL22862954 0.70 USP2 (0.39) NR1H2GPR119EPHX2

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-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

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 1/4885NR1H2 3440/4885GPR119 1905/4885
US-20200030311-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, RAF1 RET 1/4885NR1H2 3440/4885GPR119 1905/4885

“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.