SCHEMBL20069732

SCHEMBL20069732

CN1CCC(NC(=O)c2c(F)cccc2F)C1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.57
ALDH1A1 P00352 2/20 0.50
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
CHRNB2 P17787 1/20 0.46
CHRNB4 P30926 1/20 0.46
CHRNA3 P32297 1/20 0.46
CHRNA4 P43681 1/20 0.46
SSTR4 P31391 4/20 0.46
SSTR1 P30872 3/20 0.46
USP30 Q70CQ3 1/20 0.45
KDM5A P29375 1/20 0.45
WNT1 P04628 2/20 0.44
DYRK1A Q13627 2/20 0.44
CHRM5 P08912 1/20 0.42
DRD5 P21918 1/20 0.42
HTR1D P28221 1/20 0.42
HTR1E P28566 1/20 0.42
HTR1F P30939 1/20 0.42

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
SCHEMBL31188531 0.84 NPC1 (0.56) ALDH1A1KDM5AHTR7
SCHEMBL31188489 0.84 NPC1 (0.56) ALDH1A1KDM5AHTR7
SCHEMBL20147541 0.82 L3MBTL1 (0.54) L3MBTL1ALDH1A1KDM5AWNT1DYRK1A
SCHEMBL31438779 0.80 KDM5A (0.55) L3MBTL1ALDH1A1SSTR4KDM5A
SCHEMBL20068957 0.80 KDM5A (0.57) ALDH1A1HDAC4HDAC1HDAC6CHRNB2
SCHEMBL358264 0.78 CTSL (0.63) ALDH1A1HDAC4HDAC1HDAC6
SCHEMBL10274561 0.78 CTSL (0.63) ALDH1A1HDAC4HDAC1HDAC6
SCHEMBL30142335 0.77 DYRK1A (0.57) USP30WNT1DYRK1A
SCHEMBL30142364 0.77 DYRK1A (0.57) USP30WNT1DYRK1A
SCHEMBL19175094 0.76 USP30 (0.48) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA4

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-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
WO-2018071454-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ANDREWS STEVEN W (US) 2018-04-19 WO 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 L3MBTL1 2011/4885ALDH1A1 2547/4885HDAC4 1307/4885
US-20200030311-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, RAF1 L3MBTL1 2011/4885ALDH1A1 2547/4885HDAC4 1307/4885

“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.