SCHEMBL17099735

SCHEMBL17099735

COc1ncccc1-c1cnn2ccc(N3CCN(C(=O)OC4(C)COC4)CC3)nc12

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 1/20 0.72
▸ JAK2 O60674 2/20 0.39
▸ JAK3 P52333 1/20 0.39
▸ PTK2 Q05397 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ NTRK1 P04629 4/20 0.37
▸ SMO Q99835 1/20 0.37
▸ SMPD3 Q9NY59 5/20 0.37
▸ SCN9A Q15858 1/20 0.36
▸ HRH4 Q9H3N8 1/20 0.35
▸ PIM1 P11309 2/20 0.35
▸ PIM2 Q9P1W9 2/20 0.35
▸ TSHR P16473 2/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ USP2 O75604 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
SCHEMBL29398697 1.00 AAK1 (0.72) AAK1JAK2JAK3PTK2GAA
SCHEMBL31441763 0.91 AAK1 (0.66) AAK1GAANPSR1NTRK1SMO
SCHEMBL31441725 0.91 AAK1 (0.66) AAK1GAANPSR1NTRK1SMO
SCHEMBL31441491 0.90 AAK1 (0.59) AAK1
SCHEMBL30172448 0.90 AAK1 (0.58) AAK1JAK2JAK3PTK2GAA
SCHEMBL30172443 0.90 AAK1 (0.58) AAK1JAK2JAK3PTK2GAA
SCHEMBL31441524 0.90 AAK1 (0.58) AAK1NTRK1
SCHEMBL31441533 0.89 AAK1 (0.56) AAK1GAANPSR1NTRK1SMO
SCHEMBL31441484 0.89 AAK1 (0.56) AAK1GAANPSR1NTRK1SMO
SCHEMBL31441686 0.89 AAK1 (0.57) AAK1NTRK1

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
EP-3719021-B1 INHIBITORS OF ADAPTER ASSOCIATED KINASE 1, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS INC (US) 2022-03-09 — — EP claimed
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 claimed
EP-3719021-A1 INHIBITORS OF ADAPTER ASSOCIATED KINASE 1, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE Lexicon Pharmaceuticals, Inc. (US) 2020-10-07 — — EP claimed
EP-3119783-B1 INHIBITORS OF ADAPTER ASSOCIATED KINASE 1, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS INC (US) 2020-06-24 — — EP claimed
US-9682982-B2 Inhibitors of adapter associated kinase 1, compositions comprising them, and methods of their use LEXICON PHARMACEUTICALS, INC. (US) 2017-06-20 — — US claimed
US-20170129896-A1 PYRAZOLO[1,5-a]PYRIMIDINE-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE LEXION PHARMACEUTICALS INC (US) 2017-05-11 — — US claimed
EP-3119783-A1 INHIBITORS OF ADAPTER ASSOCIATED KINASE 1, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE Lexicon Pharmaceuticals, Inc. (US) 2017-01-25 — — EP claimed
US-20160039824-A1 INHIBITORS OF ADAPTER ASSOCIATED KINASE 1, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE OXFORD FINANCE LLC, AS COLLATERAL AGENT 2016-02-11 — — US claimed
WO-2015142714-A1 INHIBITORS OF ADAPTER ASSOCIATED KINASE 1, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. (US) 2015-09-24 — — WO claimed
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
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
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
US-20220096481-A1 PYRAZOLO[1,5]PYRIMIDINE-BASED COMPOUNDS AND METHODS OF THEIR USE TO TREAT VIRAL INFECTIONS OXFORD FINANCE LLC 2022-03-31 — — US disclosed
US-20160039824-A1 INHIBITORS OF ADAPTER ASSOCIATED KINASE 1, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE OXFORD FINANCE LLC, AS COLLATERAL AGENT 2016-02-11 — — US disclosed
US-20160039824-A1 INHIBITORS OF ADAPTER ASSOCIATED KINASE 1, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE OXFORD FINANCE LLC, AS COLLATERAL AGENT 2016-02-11 — — US disclosed
WO-2015142714-A1 INHIBITORS OF ADAPTER ASSOCIATED KINASE 1, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. (US) 2015-09-24 — — WO disclosed
WO-2015142714-A1 INHIBITORS OF ADAPTER ASSOCIATED KINASE 1, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. (US) 2015-09-24 — — WO disclosed
WO-2015142714-A1 INHIBITORS OF ADAPTER ASSOCIATED KINASE 1, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. (US) 2015-09-24 — — 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 (4 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 AAK1 4/4885JAK2 987/4885JAK3 659/4885
US-20220096481-A1 PYRAZOLO[1,5]PYRIMIDINE-BASED COMPOUNDS AND METHODS OF THEIR USE TO TREAT VIRAL INFECTIONS IRAK1, SARS1, IRAK2 AAK1 4/4885JAK2 987/4885JAK3 659/4885
US-20170129896-A1 PYRAZOLO[1,5-a]PYRIMIDINE-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE TPX2, MAP3K1, IRAK1 AAK1 22/4885JAK2 614/4885JAK3 1054/4885
US-20160039824-A1 INHIBITORS OF ADAPTER ASSOCIATED KINASE 1, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE NCK1, AAK1, DAPK1 AAK1 2/4885JAK2 846/4885JAK3 865/4885

“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