SCHEMBL20152080

SCHEMBL20152080

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.41
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
CCR6 P51684 4/20 0.38
HCRTR2 O43614 3/20 0.38
HCRTR1 O43613 2/20 0.38
IDO1 P14902 1/20 0.37
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NTRK1 P04629 1/20 0.35
ACACB O00763 1/20 0.35
LMNA P02545 1/20 0.34
DPP4 P27487 1/20 0.34
MMP1 P03956 1/20 0.33
MMP9 P14780 1/20 0.33
MMP13 P45452 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL20158855 0.90 CCNA2 (0.37) HRH3CHRNB4CHRNA3CCNA2CDK2
SCHEMBL20158861 0.85 CCNA2 (0.42) HRH3CHRNB4CHRNA3CCNA2CDK2
SCHEMBL20147713 0.76 HRH3 (0.40) HRH3ALDH1A1KDM4ELMNA
SCHEMBL20068882 0.74 RET (0.42) CHRNB4CHRNA3IDO1ALDH1A1KDM4E
SCHEMBL20147710 0.71 RET (0.38) HRH3IDO1CYP2D6CYP2C19
SCHEMBL20069026 0.70 MAPK1 (0.40) HRH3ALDH1A1
SCHEMBL20069147 0.70 HRH3 (0.43) HRH3ACACB
SCHEMBL20147709 0.69 ALDH1A1 (0.53) ALDH1A1KDM4EGAA
SCHEMBL19068522 0.67 PDGFRB (0.55) CCNA2CDK2CCR6HCRTR2HCRTR1
SCHEMBL20149630 0.67 RET (0.45) HRH3HCRTR2HCRTR1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-20180134703-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, RAF1 HRH3 1000/4885CHRNB4 1597/4885CHRNA3 1508/4885

“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.