SCHEMBL20147422

SCHEMBL20147422

Cc1cnc(CC2(O)CCN(C(C)C)CC2)cn1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.36
RET P07949 1/20 0.36
OPRM1 P35372 3/20 0.35
OPRL1 P41146 3/20 0.35
OPRD1 P41143 2/20 0.35
OPRK1 P41145 2/20 0.35
GPR4 P46093 1/20 0.34
KCNH2 Q12809 1/20 0.34
CYP2D6 P10635 1/20 0.34
VNN1 O95497 2/20 0.32
USP19 O94966 1/20 0.31
PIK3CA P42336 1/20 0.30
MTOR P42345 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
SCHEMBL20205813 0.89 RET (0.35) RETOPRM1OPRL1OPRD1OPRK1
SCHEMBL20205817 0.87 RET (0.36) RETOPRM1OPRL1OPRD1OPRK1
SCHEMBL20069494 0.83 RET (0.38) RETOPRM1OPRD1OPRK1KCNH2
SCHEMBL25499870 0.83 OPRM1 (0.40) HRH3OPRM1OPRL1OPRD1OPRK1
SCHEMBL22856989 0.81 RET (0.36) RETOPRM1OPRD1OPRK1VNN1
SCHEMBL20069495 0.77 PKLR (0.43) HRH3RETOPRM1OPRL1OPRD1
SCHEMBL20147400 0.75 CYP46A1 (0.50) RETOPRM1OPRL1OPRD1OPRK1
SCHEMBL20070157 0.75 RET (0.32) RETOPRM1GPR4CYP2D6VNN1
SCHEMBL29971087 0.75 RET (0.32) RETOPRM1GPR4CYP2D6VNN1
SCHEMBL25502481 0.72 HTR1A (0.37) OPRM1OPRL1OPRD1OPRK1

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-20180148445-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2018-05-31 US disclosed
US-20180133207-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2018-05-17 US disclosed
US-20180134703-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 (3 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 HRH3 1000/4885RET 1/4885OPRM1 3497/4885
US-20180133207-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, RAF1 HRH3 1000/4885RET 1/4885OPRM1 3497/4885
US-20180134703-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, RAF1 HRH3 1000/4885RET 1/4885OPRM1 3497/4885

“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.