SCHEMBL20158855

SCHEMBL20158855

COc1ccc(NC2C3CC2CN(C(C)S)C3)nc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
HCRTR2 O43614 3/20 0.37
HCRTR1 O43613 2/20 0.37
CCR6 P51684 4/20 0.36
IDO1 P14902 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35
MEN1 O00255 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
NTRK1 P04629 1/20 0.34
ACACB O00763 1/20 0.34
DPP4 P27487 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
ABL1 P00519 1/20 0.32
GRM5 P41594 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
SCHEMBL20152080 0.90 HRH3 (0.41) CCNA2CDK2CHRNB4CHRNA3HCRTR2
SCHEMBL20158861 0.83 CCNA2 (0.42) CCNA2CDK2CHRNB4CHRNA3HCRTR2
SCHEMBL20148092 0.71 ALDH1A1 (0.54) ALDH1A1
SCHEMBL22856983 0.65 OXTR (0.41) ACACB
SCHEMBL19068522 0.65 PDGFRB (0.55) CCNA2CDK2HCRTR2HCRTR1CCR6
SCHEMBL20068882 0.65 RET (0.42) CHRNB4CHRNA3IDO1MEN1KMT2A
SCHEMBL15221716 0.64 HCAR3 (0.50) ALDH1A1LMNA
SCHEMBL28358281 0.64 HCRTR2 (0.55) CCNA2CDK2HCRTR2HCRTR1
SCHEMBL20473078 0.63 HCRTR2 (0.42) CCNA2CDK2CHRNB4CHRNA3HCRTR2
SCHEMBL24263052 0.63

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-10172845-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors ARRAY BIOPHARMA INC. (US) 2019-01-08 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 (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-10172845-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors RET, BRAF, RAF1 CCNA2 3300/4885CDK2 333/4885CHRNB4 1597/4885
US-20180134703-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, RAF1 CCNA2 3300/4885CDK2 333/4885CHRNB4 1597/4885

“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.