SCHEMBL23931659

SCHEMBL23931659

COc1nc(C)ccc1-c1cnn2ccc(N(C)CCCN(C)C(=O)O)nc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMPD3 Q9NY59 4/20 0.38
▸ PRKAB2 O43741 2/20 0.36
▸ PRKAG1 P54619 2/20 0.36
▸ PRKAA2 P54646 2/20 0.36
▸ PRKAA1 Q13131 2/20 0.36
▸ PRKAG3 Q9UGI9 2/20 0.36
▸ PRKAG2 Q9UGJ0 2/20 0.36
▸ PRKAB1 Q9Y478 2/20 0.36
▸ AAK1 Q2M2I8 1/20 0.35
▸ GPBAR1 Q8TDU6 1/20 0.34
▸ CSNK2A1 P68400 2/20 0.34
▸ CSNK2A2 P19784 1/20 0.34
▸ RET P07949 2/20 0.33
▸ PDE2A O00408 1/20 0.33
▸ APOBEC3A P31941 1/20 0.32
▸ APOBEC3G Q9HC16 1/20 0.32
▸ NTRK1 P04629 3/20 0.31
▸ PIM1 P11309 1/20 0.31
▸ PIM2 Q9P1W9 1/20 0.31
▸ NTRK3 Q16288 1/20 0.31

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
SCHEMBL23931621 0.94 SMPD3 (0.39) SMPD3PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL29660252 0.88 AAK1 (0.42) SMPD3PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL23931670 0.83 NTRK1 (0.38) GPBAR1NTRK1
SCHEMBL23931661 0.83 SMPD3 (0.35) SMPD3PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL29660281 0.82 AAK1 (0.43) SMPD3PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL28903935 0.82 SMPD3 (0.39) SMPD3PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL23931622 0.81 SMPD3 (0.37) SMPD3PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL23931627 0.79 AAK1 (0.37) SMPD3PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL23931614 0.77 NTRK1 (0.39) GPBAR1NTRK1NTRK3NTRK2
SCHEMBL29660254 0.76 AAK1 (0.56) SMPD3AAK1GPBAR1CSNK2A1CAMK2D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11666575-B2 Pyrazolo[1,5]pyrimidine-based compounds and methods of their use to treat viral infections LEXICON PHARMACEUTICALS, INC. (US) 2023-06-06 — — US disclosed
EP-4138844-A1 4-(3-(PYRIDIN-3-YL)PYRAZOLO[1,5-A]PYRIMIDIN-5-YL)PIPERAZINE FOR USE IN THE THE TREATMENT OF COV-229E OR COV-OC43 CORONAVIRUSES INFECTIONS Lexicon Pharmaceuticals, Inc. (US) 2023-03-01 — — EP disclosed
WO-2021216454-A1 4-(3-(PYRIDIN-3-YL)PYRAZOLO[1,5-A]PYRIMIDIN-5-YL)PIPERAZINE FOR USE IN THE THE TREATMENT OF COV-229E OR COV-OC43 CORONAVIRUSES INFECTIONS LEXICON PHARMACEUTICALS, INC. (US) 2021-10-28 — — WO 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-11666575-B2 Pyrazolo[1,5]pyrimidine-based compounds and methods of their use to treat viral infections IRAK1, SARS1, IRAK2 SMPD3 3682/4885PRKAB2 326/4885PRKAG1 164/4885

“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.

Send feedback