SCHEMBL21887378

SCHEMBL21887378

CCOc1ccccc1Nc1cc(N(C)Cc2ccc(OC)cc2)n2ncc(C(=O)O)c2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.44
▸ MAPT P10636 5/20 0.42
▸ HTT P42858 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ BLM P54132 1/20 0.41
▸ PTPN1 P18031 1/20 0.41
▸ TYK2 P29597 3/20 0.40
▸ AKR1C3 P42330 1/20 0.39
▸ AKR1C2 P52895 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ TP53 P04637 2/20 0.39
▸ ZAP70 P43403 1/20 0.39
▸ KARS1 Q15046 1/20 0.39
▸ POLB P06746 1/20 0.39

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
SCHEMBL21811164 0.93 AKR1C3 (0.46) KCNH2MAPTHTTKDM4EALDH1A1
SCHEMBL21887781 0.93 NPSR1 (0.43) KCNH2MAPTHTTKDM4EALDH1A1
SCHEMBL21887372 0.88 TDP1 (0.44) MAPTHTTKDM4EALDH1A1NPSR1
SCHEMBL24961730 0.88 MEN1 (0.43) KCNH2MAPTALDH1A1NPSR1L3MBTL1
SCHEMBL21887777 0.88 MAPT (0.44) MAPTHTTKDM4EALDH1A1NPSR1
SCHEMBL21887371 0.85 TYK2 (0.62) TYK2STAT3
SCHEMBL30162010 0.85 TYK2 (0.62) TYK2STAT3
SCHEMBL21887375 0.83 KDM4E (0.42) MAPTHTTKDM4EALDH1A1NPSR1
SCHEMBL22092692 0.82 POLB (0.44) MAPTHTTKDM4EALDH1A1NPSR1
SCHEMBL31245701 0.82 TYK2 (0.64) TYK2STAT3

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 5 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
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

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 KCNH2 1707/4885MAPT 4226/4885HTT 4861/4885
US-20210188861-A1 PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXAMIDE DERIVATIVES USEFUL IN THE TREATMENT OF PSORIASIS AND SYSTEMIC LUPUS ERYTHEMATOSUS SSB, TPMT, SPHK1 KCNH2 1707/4885MAPT 4226/4885HTT 4861/4885

“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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