SCHEMBL20148672

SCHEMBL20148672

COc1ncc(CN2C3CC2CN(C(C)(C)C)C3)s1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RET P07949 2/20 0.44
LMNA P02545 2/20 0.34
MAPT P10636 1/20 0.34
SLC8A1 P32418 1/20 0.33
SLC6A3 Q01959 1/20 0.33
PDE10A Q9Y233 1/20 0.33
CYP2C19 P33261 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GAA P10253 2/20 0.32
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
HRH3 Q9Y5N1 1/20 0.30
NPC1 O15118 1/20 0.30

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
SCHEMBL22031279 0.85 RET (0.42) RETLMNAMAPTSLC8A1SLC6A3
SCHEMBL20149617 0.82 RET (0.40) RETLMNAMAPTSLC8A1SLC6A3
SCHEMBL20148689 0.80 RET (0.43) RETLMNAMEN1KMT2AGAA
SCHEMBL20148666 0.75 RET (0.41) RET
SCHEMBL20148679 0.73 RET (0.43) RET
SCHEMBL20148629 0.72 RET (0.45) RETHRH3
SCHEMBL20148646 0.72 RET (0.46) RET
SCHEMBL20148657 0.70 RET (0.46) RET
SCHEMBL20148654 0.70 RET (0.47) RET
SCHEMBL20148637 0.69 RET (0.44) RETCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180133200-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2018-05-17 US disclosed
US-20180133200-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2018-05-17 US disclosed
US-20180134702-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2018-05-17 US disclosed
US-20180134702-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-20180134702-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF RET 1/4885LMNA 2631/4885MAPT 1769/4885
US-20180133200-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF RET 1/4885LMNA 2631/4885MAPT 1769/4885

“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.