SCHEMBL21159094

SCHEMBL21159094

CN1CCN(C(=O)C(O)c2ccc(Cl)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.57
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
ALDH1A1 P00352 1/20 0.51
MAPT P10636 1/20 0.51
GAA P10253 1/20 0.50
ROCK2 O75116 1/20 0.50
CYP3A4 P08684 1/20 0.50
LMNA P02545 2/20 0.48
TSHR P16473 2/20 0.48
TP53 P04637 1/20 0.48
ALOX15 P16050 1/20 0.48
CHRM1 P11229 4/20 0.46
CHRM2 P08172 1/20 0.46
HTR1A P08908 1/20 0.46
ADRA2A P08913 1/20 0.46
BCL2 P10415 1/20 0.46
DRD1 P21728 1/20 0.46
TBXA2R P21731 1/20 0.46
SLC6A2 P23975 1/20 0.46

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
SCHEMBL18390257 0.85 MEN1 (0.50) KMT2AMEN1ALDH1A1ALOX15CHRM1
SCHEMBL20070968 0.84 CHRNA7 (0.56) ROCK2CYP3A4CHRM1HRH3GPX4
SCHEMBL20154465 0.84 ROCK2 (0.50) POLBROCK2CYP3A4GPX4PANK3
SCHEMBL20160444 0.84 SMN1; SMN2 (0.49) ALDH1A1LMNATP53CHRM1CYP2D6
SCHEMBL15867937 0.84 CHRM1 (0.46) KMT2AALDH1A1MAPTGAALMNA
SCHEMBL29522101 0.83 CHRM1 (0.63) POLBGAAROCK2CYP3A4TSHR
SCHEMBL18390258 0.83 CHRM1 (0.63) POLBGAAROCK2CYP3A4TSHR
SCHEMBL22811884 0.83 ALDH1A1 (0.54) POLBKMT2AMEN1ALDH1A1MAPT
SCHEMBL18390255 0.82 ROCK2 (0.55) KMT2AALDH1A1MAPTROCK2CYP3A4
SCHEMBL27559784 0.81 CYP2D6 (0.51) ALDH1A1MAPTROCK2CYP3A4TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10555944-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors ELI LILLY AND COMPANY (US) 2020-02-11 US disclosed
US-20190183886-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2019-06-20 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-10555944-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors RET, ROR1, BRAF POLB 3678/4885KMT2A 1171/4885MEN1 680/4885
US-20190183886-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF POLB 3678/4885KMT2A 1171/4885MEN1 680/4885

“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.