SCHEMBL20148628

SCHEMBL20148628

COc1cccc(CN2C3CC2CN(C(C)(C)C)C3)n1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RET P07949 3/20 0.43
KDM1A O60341 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
ALOX5 P09917 1/20 0.38
CETP P11597 1/20 0.37
HCRTR1 O43613 2/20 0.35
HCRTR2 O43614 2/20 0.35
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
EGLN1 Q9GZT9 1/20 0.33
KCNH2 Q12809 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
CHRM4 P08173 1/20 0.33
OPRM1 P35372 1/20 0.32
OPRL1 P41146 1/20 0.32
RIPK1 Q13546 1/20 0.32
CXCR6 O00574 1/20 0.32
TAS2R8 Q9NYW2 1/20 0.32

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
SCHEMBL20070735 0.85 RET (0.45) RETKDM1AMAOAMAOBALOX5
SCHEMBL22812220 0.83 RET (0.44) RETKDM1AMAOAMAOBALOX5
SCHEMBL20148616 0.83 RET (0.40) RETKDM1AMAOAMAOBALOX5
SCHEMBL20149594 0.82 KDM1A (0.43) RETKDM1AMAOAMAOBALOX5
SCHEMBL20148683 0.79 RET (0.36) RET
SCHEMBL20148650 0.79 RET (0.44) RETPDCD1CD274
SCHEMBL20148679 0.78 RET (0.43) RET
SCHEMBL20148624 0.76 LMNA (0.41) RETKCNH2OPRM1
SCHEMBL20148629 0.74 RET (0.45) RET
SCHEMBL20148646 0.74 RET (0.46) 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 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-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

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 1/4885KDM1A 998/4885MAOA 3390/4885
US-20180133200-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF RET 1/4885KDM1A 998/4885MAOA 3390/4885

“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.