SCHEMBL20206046

SCHEMBL20206046

CC(N)C(=O)NC1(Cc2ccccn2)CCN(CCc2ccc(CC3(NC(=O)CCN4CCOCC4)CCN(C(C)C)CC3)nc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RET P07949 7/20 0.44
HTR1A P08908 1/20 0.36
DRD2 P14416 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
AVPR1B P47901 4/20 0.36
APP P05067 1/20 0.35
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
LMNA P02545 1/20 0.34
CYP2C19 P33261 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL20147867 0.86 RET (0.51) RETAPPBCHEACHEALDH1A1
SCHEMBL21651973 0.80 RET (0.49) RETALDH1A1KMT2A
SCHEMBL20158630 0.78 RET (0.50) RETHRH3ALDH1A1LMNA
SCHEMBL20069636 0.78 RET (0.54) RETAPPBCHEACHEALDH1A1
SCHEMBL25502453 0.74 RET (0.51) RETALDH1A1LMNACYP2C19POLB
SCHEMBL20158570 0.74 RET (0.50) RETALDH1A1
SCHEMBL20069293 0.73 RET (0.49) RETAPPBCHEACHEALDH1A1
SCHEMBL20158569 0.73 RET (0.51) RETALDH1A1KMT2A
SCHEMBL25502455 0.73 RET (0.51) RETALDH1A1KMT2A
SCHEMBL20147868 0.72 RET (0.47) RETALDH1A1KMT2A

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 1/4885HTR1A 3345/4885DRD2 3425/4885

“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.