SCHEMBL20206044

SCHEMBL20206044

Cc1cccc(CC2(O)CCN(S)CC2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKLR P30613 2/20 0.44
RET P07949 1/20 0.38
CYP46A1 Q9Y6A2 4/20 0.35
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
HTR3E A5X5Y0 1/20 0.33
HTR3B O95264 1/20 0.33
HTR3A P46098 1/20 0.33
HTR3D Q70Z44 1/20 0.33
HTR3C Q8WXA8 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 1/20 0.33
OPRM1 P35372 2/20 0.33
OPRD1 P41143 2/20 0.33
AVPR1A P37288 1/20 0.33
KDM1A O60341 1/20 0.33
MAOA P21397 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
SCHEMBL12931208 0.87 PKLR (0.45) PKLRRETCYP46A1HTR3EHTR3B
SCHEMBL16051125 0.83 PKLR (0.47) PKLRRETCYP46A1SMN1; SMN2KMT2A
SCHEMBL20069495 0.83 PKLR (0.43) PKLRRETKMT2AMEN1OPRM1
SCHEMBL16129840 0.79 PKLR (0.39) PKLRRETSMN1; SMN2KMT2AMEN1
SCHEMBL30273002 0.79 PKLR (0.39) PKLRRETSMN1; SMN2KMT2AMEN1
SCHEMBL29686152 0.76 GPR4 (0.49) PKLRRETOPRD1KDM1AOPRK1
SCHEMBL16049607 0.76 GPR4 (0.49) PKLRRETOPRD1KDM1AOPRK1
SCHEMBL25502398 0.76 CYP46A1 (0.55) PKLRRETCYP46A1KMT2ANPSR1
SCHEMBL29845446 0.71 GAA (0.38) PKLRSMN1; SMN2KMT2AMEN1LMNA
SCHEMBL22857083 0.71 GRIN2B (0.41) CYP46A1KMT2AMEN1LMNAOPRM1

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-11648243-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors ARRAY BIOPHARMA INC. (US) 2023-05-16 US disclosed
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 (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-20180148445-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, RAF1 PKLR 1379/4885RET 1/4885CYP46A1 4055/4885
US-11648243-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors RET, BRAF, RAF1 PKLR 1379/4885RET 1/4885CYP46A1 4055/4885

“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.