SCHEMBL21887788

SCHEMBL21887788

CCOC(=O)c1cnn2c(NC)cc(Nc3ccccc3OCC)nc12

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 16/20 0.53
▸ STAT3 P40763 1/20 0.52
▸ TP53 P04637 1/20 0.51
▸ ALOX15 P16050 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ PDE4D Q08499 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ THRB P10828 1/20 0.48
▸ JAK1 P23458 1/20 0.48

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
SCHEMBL30349558 0.92 TYK2 (0.61) TYK2STAT3ALOX15TSHRNPSR1
SCHEMBL21811191 0.92 TYK2 (0.61) TYK2STAT3ALOX15TSHRNPSR1
SCHEMBL30349550 0.91 TYK2 (0.60) TYK2STAT3PDE4D
SCHEMBL21811202 0.91 TYK2 (0.60) TYK2STAT3PDE4D
SCHEMBL23754804 0.84 TYK2 (0.65) TYK2STAT3PDE4DKDM4ENPC1
SCHEMBL21887360 0.82 TYK2 (0.52) TYK2STAT3PDE4DJAK1
SCHEMBL24961727 0.82 TYK2 (0.46) TYK2STAT3TP53PDE4DALDH1A1
SCHEMBL24961646 0.81 TYK2 (0.51) TYK2STAT3PDE4DJAK1
SCHEMBL22343331 0.81 TYK2 (0.66) TYK2PDE4DKDM4ENPC1ALDH1A1
SCHEMBL21887328 0.80 TYK2 (0.66) TYK2STAT3PDE4DJAK1

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
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
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 (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-20210188861-A1 PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXAMIDE DERIVATIVES USEFUL IN THE TREATMENT OF PSORIASIS AND SYSTEMIC LUPUS ERYTHEMATOSUS SSB, TPMT, SPHK1 TYK2 140/4885STAT3 787/4885TP53 2485/4885

“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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