SCHEMBL22092677

SCHEMBL22092677

CCOC(=O)c1cnn2c(N(C)Cc3ccc(OC)cc3)cc(Nc3cccc4c3OCCC4)nc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 2/20 0.44
▸ STAT3 P40763 1/20 0.44
▸ ADORA3 P0DMS8 1/20 0.38
▸ ADORA2A P29274 1/20 0.38
▸ ADORA2B P29275 1/20 0.38
▸ ADORA1 P30542 1/20 0.38
▸ KDM4E B2RXH2 5/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ MAPT P10636 3/20 0.36
▸ HPGD P15428 3/20 0.36
▸ HSD17B10 Q99714 3/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CSNK1D P48730 1/20 0.35
▸ NPSR1 Q6W5P4 3/20 0.34
▸ HTT P42858 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ GAA P10253 2/20 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
SCHEMBL22092672 0.92 TYK2 (0.47) TYK2STAT3ADORA3ADORA2AADORA1
SCHEMBL22103866 0.89 TYK2 (0.45) TYK2STAT3KDM4EALDH1A1MAPT
SCHEMBL30378065 0.86 TYK2 (0.50) TYK2STAT3ADORA3ADORA2AADORA2B
SCHEMBL21887777 0.84 MAPT (0.44) TYK2STAT3ADORA3ADORA2AADORA2B
SCHEMBL21887375 0.84 KDM4E (0.42) ADORA3ADORA2AADORA2BADORA1KDM4E
SCHEMBL22092695 0.83 TYK2 (0.69) TYK2STAT3
SCHEMBL21887781 0.82 NPSR1 (0.43) ADORA3ADORA2AADORA2BADORA1KDM4E
SCHEMBL22092637 0.82 KDM4E (0.41) TYK2ADORA3ADORA2AADORA2BADORA1
SCHEMBL22092687 0.81 TYK2 (0.64) TYK2STAT3
SCHEMBL31245689 0.81 TYK2 (0.38) TYK2STAT3ADORA3ADORA2AADORA2B

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
EP-3894412-B1 7-(METHYLAMINO)PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXAMIDE DERIVATIVES LILLY CO ELI (US) 2023-02-08 — — EP disclosed
US-20220024933-A1 7 (METHYLAMINO)PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXAMIDE DERIVATIVES ELI LILLY AND COMPANY 2022-01-27 — — US disclosed
EP-3894412-A1 7-(METHYLAMINO)PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXAMIDE DERIVATIVES Eli Lilly and Company (US) 2021-10-20 — — EP disclosed
WO-2020123225-A1 7-(METHYLAMINO)PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2020-06-18 — — WO disclosed
WO-2020123225-A1 7-(METHYLAMINO)PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2020-06-18 — — 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-20220024933-A1 7 (METHYLAMINO)PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXAMIDE DERIVATIVES SSB, TLR7, TPMT TYK2 57/4885STAT3 207/4885ADORA3 362/4885

“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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