SCHEMBL2860338

SCHEMBL2860338

O=[N+]([O-])c1ccc(Br)c(CCl)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.49
HSD17B10 Q99714 1/20 0.46
PTPRC P08575 2/20 0.44
S100A4 P26447 1/20 0.44
ALDH1A1 P00352 4/20 0.43
TDP1 Q9NUW8 4/20 0.43
CYP3A4 P08684 1/20 0.43
LMNA P02545 2/20 0.42
PDE7A Q13946 1/20 0.42
CA2 P00918 2/20 0.41
CA5A P35218 2/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA3 P07451 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA13 Q8N1Q1 1/20 0.41
CA14 Q9ULX7 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
SCHEMBL532452 0.83 PTPRC (0.46) TSHRHSD17B10PTPRCS100A4ALDH1A1
SCHEMBL30279963 0.83 PTPRC (0.46) TSHRHSD17B10PTPRCS100A4ALDH1A1
SCHEMBL13043154 0.83 POLB (0.53) TSHRHSD17B10PTPRCS100A4ALDH1A1
SCHEMBL2082256 0.81 LOXL2 (0.50) TSHRHSD17B10PTPRCS100A4ALDH1A1
SCHEMBL135919 0.81 CA1 (0.45) TSHRHSD17B10PTPRCS100A4ALDH1A1
SCHEMBL9450290 0.80 CYP1A2 (0.46) TSHRHSD17B10PTPRCS100A4ALDH1A1
SCHEMBL9192755 0.79 TSHR (0.58) TSHRHSD17B10PTPRCS100A4ALDH1A1
SCHEMBL863249 0.79 HSD17B10 (0.62) TSHRHSD17B10ALDH1A1TDP1LMNA
SCHEMBL24723083 0.79 ALDH1A1 (0.44) TSHRPTPRCS100A4ALDH1A1TDP1
SCHEMBL1819544 0.79 TSHR (0.53) TSHRPTPRCS100A4ALDH1A1TDP1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3897840-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIAL AGENTS F. Hoffmann-La Roche AG (CH) 2021-10-27 EP disclosed
EP-3898629-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS F. Hoffmann-La Roche AG (CH) 2021-10-27 EP disclosed
EP-3897839-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIAL AGENTS F. Hoffmann-La Roche AG (CH) 2021-10-27 EP disclosed
EP-3898630-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2021-10-27 EP disclosed
EP-3898631-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS F. Hoffmann-La Roche AG (CH) 2021-10-27 EP disclosed
CN-113226469-A Imidazopyrazine derivatives as antibacterial agents 豪夫迈·罗氏有限公司 2021-08-06 CN disclosed
CN-113195498-A Novel imidazopyrazine derivatives 豪夫迈·罗氏有限公司 2021-07-30 CN disclosed
CN-113195497-A Novel imidazopyrazine derivatives 豪夫迈·罗氏有限公司 2021-07-30 CN disclosed
CN-113164771-A Imidazopyrazine derivatives as antibacterial agents 豪夫迈·罗氏有限公司 2021-07-23 CN disclosed
WO-2020127075-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 WO disclosed
WO-2020126956-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 WO disclosed
WO-2020126953-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 WO disclosed
WO-2020126954-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 WO disclosed
US-7807690-B2 2,3-dihydro-iminoisoindole derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-10-05 US disclosed
US-7807690-B2 2,3-dihydro-iminoisoindole derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-10-05 US disclosed
US-20100184981-A1 2,3-DIHYDRO-IMINOISOINDOLE DERIVATIVES CLARK RICHARD 2010-07-22 US disclosed
US-20100184981-A1 2,3-DIHYDRO-IMINOISOINDOLE DERIVATIVES CLARK RICHARD 2010-07-22 US disclosed
EP-2202231-A1 2,3-DIHYDROIMINOISOINDOLE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2010-06-30 EP disclosed
US-20090270433-A1 2,3-DIHYDRO-IMINOISOINDOLE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-10-29 US disclosed
US-20090270433-A1 2,3-DIHYDRO-IMINOISOINDOLE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-10-29 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 (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-20100184981-A1 2,3-DIHYDRO-IMINOISOINDOLE DERIVATIVES SERPINC1, F7, F2 TSHR 1714/4885HSD17B10 163/4885PTPRC 2532/4885
US-20090270433-A1 2,3-DIHYDRO-IMINOISOINDOLE DERIVATIVES SERPINC1, F7, F2 TSHR 1847/4885HSD17B10 162/4885PTPRC 2523/4885

“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.