SCHEMBL22092692

SCHEMBL22092692

COc1ccc(CN(C)c2cc(Nc3cccc(C)n3)nc3c(C(=O)O)cnn23)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.44
▸ PTPN1 P18031 1/20 0.42
▸ KDM4E B2RXH2 4/20 0.42
▸ ALDH1A1 P00352 4/20 0.42
▸ HTT P42858 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ PDE2A O00408 1/20 0.40
▸ NPC1 O15118 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ GBA1 P04062 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ GFER P55789 1/20 0.38
▸ TSPO P30536 1/20 0.38
▸ JAK2 O60674 1/20 0.38

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
SCHEMBL24987471 0.93 POLB (0.46) POLBKDM4EALDH1A1HTTNPSR1
SCHEMBL22092637 0.92 KDM4E (0.41) POLBKDM4EALDH1A1HTTNPSR1
SCHEMBL24985048 0.88 NPC1 (0.37) POLBALDH1A1NPSR1TDP1L3MBTL1
SCHEMBL21811164 0.85 AKR1C3 (0.46) POLBPTPN1KDM4EALDH1A1HTT
SCHEMBL21887372 0.85 TDP1 (0.44) POLBPTPN1KDM4EALDH1A1HTT
SCHEMBL22092671 0.84 TYK2 (0.56) POLBTYK2
SCHEMBL30377589 0.82 POLB (0.51) POLBKDM4EALDH1A1NPSR1L3MBTL1
SCHEMBL21887378 0.82 KCNH2 (0.44) POLBPTPN1KDM4EALDH1A1HTT
SCHEMBL22092672 0.80 TYK2 (0.47) POLBPTPN1KDM4EALDH1A1HTT
SCHEMBL26098304 0.80 PTPN1 (0.49) POLBPTPN1KDM4EALDH1A1HTT

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 POLB 1038/4885PTPN1 1373/4885KDM4E 802/4885

“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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