SCHEMBL20148655

SCHEMBL20148655

CC(C)(C)N1CC2CC(C1)N2Cc1ccnc(O)c1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RET P07949 4/20 0.35
OPRM1 P35372 4/20 0.33
OPRD1 P41143 1/20 0.33
SIGMAR1 Q99720 1/20 0.31
OPRK1 P41145 3/20 0.31
KCNH2 Q12809 3/20 0.31
MC1R Q01726 1/20 0.31
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM5 P08912 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
HTT P42858 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL20148625 0.85 RET (0.42) RETSIGMAR1CHRM2CHRM4CHRM5
SCHEMBL20070784 0.82 RET (0.33) RETOPRM1SIGMAR1OPRK1KCNH2
SCHEMBL20148675 0.80 RET (0.34) RETOPRM1OPRD1
SCHEMBL20148662 0.76 CHKA (0.48) RETKCNH2
SCHEMBL20148621 0.73 RET (0.38) RET
SCHEMBL20148615 0.73 CHRNB2 (0.44) RETOPRM1OPRK1KCNH2KDM4E
SCHEMBL20148626 0.73 ALDH1A1 (0.45) ALDH1A1
SCHEMBL20148619 0.73 RET (0.41) RET
SCHEMBL20148620 0.73 RET (0.41) RET
SCHEMBL20682208 0.73 DRD4 (0.42) OPRM1OPRD1SIGMAR1CHRM2CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180133200-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2018-05-17 US disclosed
US-20180134702-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2018-05-17 US disclosed
US-20180134702-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-20180134702-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF RET 1/4885OPRM1 2992/4885OPRD1 2355/4885
US-20180133200-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF RET 1/4885OPRM1 2992/4885OPRD1 2355/4885

“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.