SCHEMBL21988031

SCHEMBL21988031

[N-]=[N+]=NC(=O)c1c[nH]c2ccncc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 1/20 0.41
▸ HASPIN Q8TF76 2/20 0.40
▸ ROCK1 Q13464 1/20 0.40
▸ HTR6 P50406 2/20 0.39
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ HAT1 O14929 1/20 0.36
▸ EP300 Q09472 1/20 0.36
▸ NR4A2 P43354 1/20 0.36
▸ GPR84 Q9NQS5 1/20 0.35
▸ GABRA1 P14867 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ FEN1 P39748 1/20 0.33
▸ PBRM1 Q86U86 1/20 0.33
▸ CCNT1 O60563 1/20 0.33
▸ CDK9 P50750 1/20 0.33
▸ GSK3B P49841 1/20 0.33

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
SCHEMBL21988026 0.89 DYRK1A (0.42) HASPINCYP2C19HAT1EP300GPR84
SCHEMBL30279719 0.89 DYRK1A (0.42) HASPINCYP2C19HAT1EP300GPR84
SCHEMBL27744426 0.79 GPR84 (0.59) NR4A2GPR84NPC1LMNARAB9A
SCHEMBL2817519 0.78 NAMPT (0.51) NAMPTHASPINROCK1HTR6CYP3A4
SCHEMBL23612230 0.75 NPSR1 (0.46) HTR6CYP3A4KDM4ELMNAALDH1A1
SCHEMBL22049722 0.75 ALDH1A1 (0.59) NAMPTHASPINROCK1HTR6CYP3A4
SCHEMBL12481581 0.75 HASPIN (0.64) NAMPTHASPINROCK1HTR6CYP3A4
SCHEMBL23612260 0.74 F7 (0.63) NR4A2GABRA1
SCHEMBL23612152 0.74 KDM4E (0.54) GPR84KDM4EALDH1A1
SCHEMBL21988064 0.74 MAP2K1 (0.57) ROCK1GPR84DYRK1A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120004785-A Compounds and compositions for the treatment of diseases associated with STING activity 诺华制药股份有限公司 2025-05-16 — — CN disclosed
CN-112823036-B Compounds and compositions for the treatment of diseases associated with STING activity 艾福姆德尤股份有限公司 2024-11-08 — — CN disclosed
US-20240083895-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2024-03-14 — — US disclosed
US-11618749-B2 Compounds and compositions for treating conditions associated with STING activity IFM DUE, INC. (US) 2023-04-04 — — US disclosed
CN-112823036-A Compounds and compositions for treating diseases associated with STING activity 艾福姆德尤股份有限公司 2021-05-18 — — CN disclosed
US-20200172534-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2020-06-04 — — US disclosed
US-20200172534-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2020-06-04 — — US 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 (3 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-20200172534-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 NAMPT 2899/4885HASPIN 1911/4885ROCK1 1388/4885
US-11618749-B2 Compounds and compositions for treating conditions associated with STING activity STING1, IRF3, CGAS NAMPT 3097/4885HASPIN 2205/4885ROCK1 1666/4885
US-20240083895-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 NAMPT 2899/4885HASPIN 1911/4885ROCK1 1388/4885

“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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