SCHEMBL12413709

SCHEMBL12413709

CC(C)CC(=O)NCC1CCN(C)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
TP53 P04637 1/20 0.47
PREP P48147 1/20 0.41
NAMPT P43490 2/20 0.39
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
PIK3CA P42336 1/20 0.39
MTOR P42345 1/20 0.39
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
RET P07949 2/20 0.36
HPGD P15428 2/20 0.36
MAPT P10636 1/20 0.36
SSTR4 P31391 2/20 0.36
PARP1 P09874 1/20 0.36
GAK O14976 1/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL22519427 0.92 SMN1; SMN2 (0.49) SMN1; SMN2TP53PREPNAMPTPIK3CA
SCHEMBL20069186 0.84 SMN1; SMN2 (0.42) SMN1; SMN2TP53PREPPIK3CAMTOR
SCHEMBL20147955 0.83 TP53 (0.44) SMN1; SMN2TP53PREPDRD2DRD3
SCHEMBL12507088 0.81 DRD2 (0.43) NAMPTDRD2DRD3MAPTSSTR4
SCHEMBL22857058 0.81 SMN1; SMN2 (0.39) SMN1; SMN2TP53PREPPIK3CAMTOR
SCHEMBL4515125 0.81 TDP1 (0.48) SMN1; SMN2TP53PREPPIK3CAMTOR
SCHEMBL12413662 0.80 DRD2 (0.43) PREPNAMPTDRD2DRD3MAPT
SCHEMBL21730471 0.79 NAMPT (0.40) SMN1; SMN2TP53NAMPTMAPTMEN1
SCHEMBL13003346 0.79 GNAI3 (0.39) NAMPTDRD2DRD3
SCHEMBL31420630 0.78 CYP2D6 (0.44) NAMPTDRD2DRD3MAPTSSTR4

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 9 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-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
US-10441581-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors ARRAY BIOPHARMA INC. (US) 2019-10-15 US disclosed
US-10172845-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors ARRAY BIOPHARMA INC. (US) 2019-01-08 US disclosed
US-20180134703-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2018-05-17 US disclosed
US-20180133207-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2018-05-17 US disclosed
US-8293729-B2 Compounds, pharmaceutical composition and methods relating thereto BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-23 US disclosed
US-20110166116-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-07 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 (8 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 SMN1; SMN2 646/4885TP53 759/4885PREP 3375/4885
US-11648243-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors RET, BRAF, RAF1 SMN1; SMN2 646/4885TP53 759/4885PREP 3375/4885
US-10441581-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors RET, BRAF, RAF1 SMN1; SMN2 646/4885TP53 759/4885PREP 3375/4885
US-20200030311-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, RAF1 SMN1; SMN2 646/4885TP53 759/4885PREP 3375/4885
US-10172845-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors RET, BRAF, RAF1 SMN1; SMN2 646/4885TP53 759/4885PREP 3375/4885
US-20180133207-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, RAF1 SMN1; SMN2 646/4885TP53 759/4885PREP 3375/4885
US-20110166116-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO MC2R, REN, CYP11B2 SMN1; SMN2 1994/4885TP53 2480/4885PREP 605/4885
US-20180134703-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, RAF1 SMN1; SMN2 646/4885TP53 759/4885PREP 3375/4885

“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.