SCHEMBL21652004

SCHEMBL21652004

COc1ccnc(OC2CN(C)C2)c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 15/20 0.48
HCRTR2 O43614 15/20 0.48
CCR1 P32246 1/20 0.44
CCR5 P51681 1/20 0.44
CCR8 P51685 1/20 0.44
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
NOS2 P35228 1/20 0.42
RET P07949 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL20070243 0.85 HCRTR1 (0.47) HCRTR1HCRTR2CCR1CCR5CCR8
SCHEMBL20070247 0.84 HCRTR1 (0.44) HCRTR1HCRTR2CCR1CCR5CCR8
SCHEMBL17448852 0.78 HCRTR1 (0.49) HCRTR1HCRTR2CCR1CCR5CCR8
SCHEMBL28664238 0.77 ROCK1 (0.49) HCRTR1HCRTR2CCR1CCR5CCR8
SCHEMBL20147967 0.76 MCHR1 (0.40) RETALDH1A1GAAKMT2A
SCHEMBL20147435 0.76 HRH3 (0.52) HCRTR1HCRTR2CCR1CCR5CCR8
SCHEMBL24188502 0.74 AXL (0.39)
SCHEMBL2760245 0.73 PDE3B (0.43) HCRTR1HCRTR2
SCHEMBL1206676 0.73 CCR1 (0.64) CCR1CCR5CCR8NOS3NOS1
SCHEMBL20069137 0.73 CHRNB2 (0.38) ALDH1A1GAAKMT2A

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-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

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 HCRTR1 2257/4885HCRTR2 3543/4885CCR1 1283/4885
US-20200030311-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, RAF1 HCRTR1 2257/4885HCRTR2 3543/4885CCR1 1283/4885

“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.