SCHEMBL1151368

SCHEMBL1151368

CSc1cc(F)ccc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
PDE7A Q13946 3/20 0.46
USP10 Q14694 1/20 0.42
USP7 Q93009 1/20 0.42
USP47 Q96K76 1/20 0.42
TSHR P16473 2/20 0.41
CYP3A4 P08684 1/20 0.41
HSPB1 P04792 3/20 0.41
IDO1 P14902 1/20 0.40
ALDH1A1 P00352 3/20 0.39
HIF1A Q16665 1/20 0.39
MAPT P10636 2/20 0.38
MAPK1 P28482 2/20 0.38
TXNRD1 Q16881 1/20 0.38
TXNRD3 Q86VQ6 1/20 0.38
TXNRD2 Q9NNW7 1/20 0.38
VCAM1 P19320 1/20 0.37
TTR P02766 1/20 0.36

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
SCHEMBL29662268 1.00 ATM (0.58) ATMTDP1PDE7AUSP10USP7
SCHEMBL3874156 0.85 PDE7A (0.58) ATMTDP1PDE7AUSP10USP7
SCHEMBL20150186 0.81 TSHR (0.64) TDP1TSHRCYP3A4IDO1ALDH1A1
SCHEMBL2061399 0.81 ATM (0.58) ATMTDP1PDE7AUSP10USP7
SCHEMBL5423544 0.78 PDE7A (0.42) ATMTDP1PDE7ATSHRCYP3A4
SCHEMBL2935849 0.78 BACE1 (0.45) TSHRCYP3A4ALDH1A1MAPK1
SCHEMBL29662266 0.78 BACE1 (0.45) TSHRCYP3A4ALDH1A1MAPK1
SCHEMBL8446725 0.78 TSHR (0.58) TDP1PDE7ATSHRCYP3A4ALDH1A1
SCHEMBL2545546 0.78 MAPK1 (0.58) TDP1PDE7ATSHRALDH1A1MAPT
SCHEMBL21445773 0.77 ATM (0.53) ATMTDP1PDE7AUSP10USP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4472739-A1 IMIDAZOLE MACROCYCLES FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2024-12-11 EP disclosed
WO-2023148129-A1 IMIDAZOLE MACROCYCLES FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2023-08-10 WO disclosed
US-20230089368-A1 POLYAROMATIC UREA DERIVATIVES AND THEIR USE IN THE TREATMENT OF MUSCLE DISEASES ANAGENESIS BIOTECHNOLOGIES S.A.S. (FR) 2023-03-23 US disclosed
CN-111217816-B FLT3 kinase inhibitor and preparation and application thereof 中国科学院上海药物研究所 2022-08-16 CN disclosed
EP-3999057-A1 POLYAROMATIC UREA DERIVATIVES AND THEIR USE IN THE TREATMENT OF MUSCLE DISEASES ANAGENESIS BIOTECHNOLOGIES SAS (FR) 2022-05-25 EP disclosed
CN-114144410-A Polyarylurea derivatives and their use in the treatment of muscular diseases 阿纳格纳斯生物技术股份有限公司 2022-03-04 CN disclosed
WO-2021013712-A1 POLYAROMATIC UREA DERIVATIVES AND THEIR USE IN THE TREATMENT OF MUSCLE DISEASES ANAGENESIS BIOTECHNOLOGIES S.A.S. (FR) 2021-01-28 WO disclosed
CN-111217816-A FLT3 kinase inhibitor and preparation and application thereof 中国科学院上海药物研究所 2020-06-02 CN disclosed
US-20180134700-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-05-17 US disclosed
EP-2291377-B1 IMIDAZOPYRIMIDINONES AND USES THEREOF AVEXA LTD (AU) 2015-02-18 EP disclosed
US-8431581-B2 Imidazopyrimidines and uses thereof AVEXA LIMITED (AU) 2013-04-30 US disclosed
US-8431581-B2 Imidazopyrimidines and uses thereof AVEXA LIMITED (AU) 2013-04-30 US disclosed
US-8431581-B2 Imidazopyrimidines and uses thereof AVEXA LIMITED (AU) 2013-04-30 US disclosed
EP-2291377-A1 IMIDAZOPYRIMIDINONES AND USES THEREOF Avexa Limited (AU) 2011-03-09 EP disclosed
US-20110028487-A1 IMIDAZOPYRIMIDINES AND USES THEREOF AVEXA LIMITED (AU) 2011-02-03 US disclosed
US-20110028487-A1 IMIDAZOPYRIMIDINES AND USES THEREOF AVEXA LIMITED (AU) 2011-02-03 US disclosed
US-20110028487-A1 IMIDAZOPYRIMIDINES AND USES THEREOF AVEXA LIMITED (AU) 2011-02-03 US disclosed
WO-2010000031-A1 IMIDAZOPYRIMIDINONES AND USES THEREOF AVEXA LIMITED (AU) 2010-01-07 WO disclosed
WO-2010000031-A1 IMIDAZOPYRIMIDINONES AND USES THEREOF AVEXA LIMITED (AU) 2010-01-07 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 (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-20110028487-A1 IMIDAZOPYRIMIDINES AND USES THEREOF TPMT, DPYD, IMPDH1 ATM 4490/4885TDP1 616/4885PDE7A 164/4885
US-20180134700-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 ATM 759/4885TDP1 330/4885PDE7A 3971/4885
US-20230089368-A1 POLYAROMATIC UREA DERIVATIVES AND THEIR USE IN THE TREATMENT OF MUSCLE DISEASES CKMT1A; CKMT1B, TNNC1, UBQLN2 ATM 1764/4885TDP1 1251/4885PDE7A 2538/4885

“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.