SCHEMBL21887781

SCHEMBL21887781

CCOC(=O)c1cnn2c(N(C)Cc3ccc(OC)cc3)cc(Nc3ccccc3OCC)nc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 5/20 0.43
▸ TSHR P16473 3/20 0.43
▸ ALOX15 P16050 2/20 0.43
▸ TP53 P04637 2/20 0.43
▸ KCNH2 Q12809 1/20 0.42
▸ KDM4E B2RXH2 4/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ HPGD P15428 3/20 0.41
▸ HSD17B10 Q99714 3/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ MAPT P10636 5/20 0.41
▸ THRB P10828 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ USP2 O75604 1/20 0.41
▸ ADORA3 P0DMS8 1/20 0.41
▸ ADORA2A P29274 1/20 0.41
▸ ADORA2B P29275 1/20 0.41
▸ ADORA1 P30542 1/20 0.41

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
SCHEMBL21887777 0.95 MAPT (0.44) NPSR1TSHRALOX15TP53KDM4E
SCHEMBL21887378 0.93 KCNH2 (0.44) NPSR1TP53KCNH2KDM4EALDH1A1
SCHEMBL21887375 0.91 KDM4E (0.42) NPSR1TSHRTP53KDM4ESMN1; SMN2
SCHEMBL24961730 0.88 MEN1 (0.43) NPSR1TSHRTP53KCNH2SMN1; SMN2
SCHEMBL21811164 0.86 AKR1C3 (0.46) NPSR1TP53KCNH2KDM4ESMN1; SMN2
SCHEMBL22092637 0.86 KDM4E (0.41) NPSR1TSHRKDM4ESMN1; SMN2ALDH1A1
SCHEMBL31245714 0.85 TYK2 (0.54) —
SCHEMBL21887371 0.83 TYK2 (0.62) —
SCHEMBL30162010 0.83 TYK2 (0.62) —
SCHEMBL22092677 0.82 TYK2 (0.44) NPSR1TSHRKDM4ESMN1; SMN2ALDH1A1

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 4 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
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 NPSR1 1148/4885TSHR 1207/4885ALOX15 1546/4885
US-20210188861-A1 PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXAMIDE DERIVATIVES USEFUL IN THE TREATMENT OF PSORIASIS AND SYSTEMIC LUPUS ERYTHEMATOSUS SSB, TPMT, SPHK1 NPSR1 1148/4885TSHR 1207/4885ALOX15 1546/4885

“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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