SCHEMBL20148036

SCHEMBL20148036

Cn1cccc(C(=O)NC2(C)CCN(C(C)(C)C)CC2)c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.43
MCHR1 Q99705 1/20 0.35
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
OPRM1 P35372 1/20 0.35
GRIN1 Q05586 1/20 0.35
KCNH2 Q12809 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
GRIN3A Q8TCU5 1/20 0.35
CCR3 P51677 1/20 0.34
GPR6 P46095 8/20 0.34
AURKB Q96GD4 1/20 0.34
MAP3K5 Q99683 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
CNR2 P34972 2/20 0.33
JAK2 O60674 1/20 0.33

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
SCHEMBL25504758 0.87 RET (0.42) RETOPRM1KCNH2CCR3GPR6
SCHEMBL20069097 0.83 RET (0.40) RETCCR3GPR6AURKBMAP3K5
SCHEMBL20147980 0.79 GAA (0.45) RETGRIN2DGRIN3BCHRM2CHRM1
SCHEMBL20147987 0.77 FAAH (0.50) RETMCHR1CNR2RAB9A
SCHEMBL20148056 0.77 LMNA (0.48) RETGRIN2DGRIN3BCHRM2CHRM1
SCHEMBL22857001 0.72 TSHR (0.48) RETRAB9A
SCHEMBL22857088 0.72 GAA (0.43) RETCCR3RAB9A
SCHEMBL12376659 0.71 MAPT (0.48) AURKBMAP3K5RAB9A
SCHEMBL22857013 0.71 RET (0.44) RETMCHR1CNR2
SCHEMBL20626718 0.70 KDM4E (0.45) RETKCNH2RAB9A

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-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 (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-20180133207-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, RAF1 RET 1/4885MCHR1 1063/4885GRIN2D 1440/4885

“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.