SCHEMBL21811164

SCHEMBL21811164

COc1ccc(CN(C)c2cc(Nc3ccccc3OC)nc3c(C(=O)O)cnn23)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 1/20 0.46
▸ AKR1C2 P52895 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ MAPT P10636 11/20 0.44
▸ TYK2 P29597 3/20 0.43
▸ STAT3 P40763 1/20 0.43
▸ PTPN1 P18031 1/20 0.43
▸ TP53 P04637 4/20 0.42
▸ LMNA P02545 1/20 0.42
▸ POLB P06746 3/20 0.41
▸ KMT2A Q03164 2/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ JAK2 O60674 1/20 0.40
▸ JAK1 P23458 1/20 0.40
▸ JAK3 P52333 1/20 0.40

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
SCHEMBL21887378 0.93 KCNH2 (0.44) AKR1C3AKR1C2KDM4EALDH1A1HTT
SCHEMBL21887372 0.91 TDP1 (0.44) KDM4EALDH1A1HTTNPSR1TDP1
SCHEMBL21887777 0.91 MAPT (0.44) KDM4EALDH1A1HTTNPSR1TDP1
SCHEMBL21887781 0.86 NPSR1 (0.43) KDM4EALDH1A1HTTNPSR1TDP1
SCHEMBL22092692 0.85 POLB (0.44) KDM4EALDH1A1HTTNPSR1TDP1
SCHEMBL21887786 0.84 TYK2 (0.69) TYK2STAT3
SCHEMBL31245701 0.83 TYK2 (0.64) TYK2STAT3JAK2JAK1
SCHEMBL22092672 0.82 TYK2 (0.47) KDM4EALDH1A1HTTNPSR1TDP1
SCHEMBL21887375 0.82 KDM4E (0.42) KDM4EALDH1A1HTTNPSR1TDP1
SCHEMBL30349474 0.82 TYK2 (0.50) AKR1C3AKR1C2KDM4EALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11891400-B2 Pyrazolo[1,5-a]pyrimidine-3-carboxamide derivatives useful in the treatment of psoriasis and systemic lupus erythematosus ELI LILLY AND COMPANY (US) 2024-02-06 — — US disclosed
EP-3849981-B1 PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXAMIDE DERIVATIVES USEFUL IN THE TREATMENT OF PSORIASIS AND SYSTEMIC LUPUS ERYTHEMATOSUS LILLY CO ELI (US) 2023-02-01 — — EP disclosed
EP-3849981-B1 PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXAMIDE DERIVATIVES USEFUL IN THE TREATMENT OF PSORIASIS AND SYSTEMIC LUPUS ERYTHEMATOSUS LILLY CO ELI (US) 2023-02-01 — — EP disclosed
EP-3849981-A1 PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXAMIDE DERIVATIVES USEFUL IN THE TREATMENT OF PSORIASIS AND SYSTEMIC LUPUS ERYTHEMATOSUS Eli Lilly and Company (US) 2021-07-21 — — EP disclosed
US-20210188861-A1 PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXAMIDE DERIVATIVES USEFUL IN THE TREATMENT OF PSORIASIS AND SYSTEMIC LUPUS ERYTHEMATOSUS ELI LILLY AND COMPANY 2021-06-24 — — US disclosed
US-20210188861-A1 PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXAMIDE DERIVATIVES USEFUL IN THE TREATMENT OF PSORIASIS AND SYSTEMIC LUPUS ERYTHEMATOSUS ELI LILLY AND COMPANY 2021-06-24 — — US disclosed
WO-2020055636-A1 PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXAMIDE DERIVATIVES USEFUL IN THE TREATMENT OF PSORIASIS AND SYSTEMIC LUPUS ERYTHEMATOSUS ELI LILLY AND COMPANY (US) 2020-03-19 — — WO disclosed
WO-2020055636-A1 PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXAMIDE DERIVATIVES USEFUL IN THE TREATMENT OF PSORIASIS AND SYSTEMIC LUPUS ERYTHEMATOSUS ELI LILLY AND COMPANY (US) 2020-03-19 — — 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 (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-11891400-B2 Pyrazolo[1,5-a]pyrimidine-3-carboxamide derivatives useful in the treatment of psoriasis and systemic lupus erythematosus SSB, TPMT, SPHK1 AKR1C3 1477/4885AKR1C2 2432/4885KDM4E 129/4885
US-20210188861-A1 PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXAMIDE DERIVATIVES USEFUL IN THE TREATMENT OF PSORIASIS AND SYSTEMIC LUPUS ERYTHEMATOSUS SSB, TPMT, SPHK1 AKR1C3 1477/4885AKR1C2 2432/4885KDM4E 129/4885

“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.

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