SCHEMBL20205824

SCHEMBL20205824

CCC(C)N1CCC(Oc2ccc(C)nn2)C(N)C1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RET P07949 5/20 0.44
HRH3 Q9Y5N1 1/20 0.36
KDM1A O60341 1/20 0.33
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
DPP4 P27487 1/20 0.33
PDE9A O76083 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
SCHEMBL20147463 0.88 RET (0.40) RETHRH3KDM1ADPP4PDE9A
SCHEMBL20205823 0.86 RET (0.39) RETKDM1APDE9A
SCHEMBL20158543 0.84 RET (0.38) RETKDM1APDE9A
SCHEMBL20069158 0.79 RET (0.42) RETKDM1A
SCHEMBL21733094 0.73 HRH3 (0.41) RETHRH3PDE9A
SCHEMBL24308695 0.70 HRH3 (0.53) RETHRH3
SCHEMBL20147429 0.69 HRH3 (0.48) HRH3
SCHEMBL20147949 0.68 HRH3 (0.36) HRH3
SCHEMBL21651951 0.68 MCHR1 (0.43) RETHRH3DRD2DRD3
SCHEMBL20206012 0.66 RET (0.38) RETHRH3DRD2DRD3

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-20180148445-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2018-05-31 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-20180148445-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, RAF1 RET 1/4885HRH3 1000/4885KDM1A 616/4885

“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.