SCHEMBL19814093

SCHEMBL19814093

COc1nc(Br)c([N+](=O)[O-])cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MERTK Q12866 1/20 0.41
▸ PIN1 Q13526 2/20 0.39
▸ MAPT P10636 5/20 0.38
▸ MAPK1 P28482 4/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ HPGD P15428 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ RAF1 P04049 1/20 0.38
▸ GFER P55789 1/20 0.38
▸ PAX8 Q06710 1/20 0.38
▸ HTT P42858 2/20 0.37
▸ PDE7A Q13946 1/20 0.36
▸ PGK1 P00558 1/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.36
▸ JAK2 O60674 1/20 0.36
▸ S1PR4 O95977 1/20 0.36
▸ HSP90AA1 P07900 1/20 0.36
▸ S1PR1 P21453 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ PKM P14618 2/20 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
SCHEMBL19814151 0.85 MERTK (0.44) MERTKPIN1MAPTMAPK1ALDH1A1
SCHEMBL29757772 0.83 MERTK (0.43) MERTKPIN1MAPTMAPK1ALDH1A1
SCHEMBL3735675 0.82 ALDH1A1 (0.46) PIN1MAPTALDH1A1LMNAHTT
SCHEMBL30423969 0.82 ALDH1A1 (0.46) PIN1MAPTALDH1A1LMNAHTT
SCHEMBL23363896 0.81 MERTK (0.41) MERTKPIN1MAPTMAPK1ALDH1A1
SCHEMBL11002602 0.79 TSHR (0.42) MAPTMAPK1ALDH1A1LMNAHTT
SCHEMBL23363887 0.77 MEN1 (0.42) MERTKMAPTMAPK1ALDH1A1HPGD
SCHEMBL22596350 0.77 MERTK (0.43) MERTKPIN1MAPTMAPK1ALDH1A1
SCHEMBL1201317 0.77 S1PR4 (0.35) PIN1MAPTALDH1A1HPGDLMNA
SCHEMBL21617687 0.76 NPC1 (0.39) MERTKPIN1MAPTMAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4058435-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE Genentech, Inc. (US) 2022-09-21 — — EP disclosed
US-20220281819-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2022-09-08 — — US disclosed
CN-114728905-A Therapeutic compounds and methods of use 基因泰克公司 2022-07-08 — — CN disclosed
WO-2021097110-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2021-05-20 — — WO disclosed
WO-2021097110-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2021-05-20 — — WO disclosed
US-20210052556-A1 SUBSTITUTED THIAZOLO-PYRIDINE COMPOUNDS AS MALT1 INHIBITORS LUPIN LTD (IN) 2021-02-25 — — US disclosed
EP-3736277-A1 SUBSTITUTED THIAZOLO-PYRIDINE COMPOUNDS AS MALT1 INHIBITORS Lupin Limited (IN) 2020-11-11 — — EP disclosed
US-20190275012-A9 SUBSTITUTED THIAZOLO-PYRIDINE COMPOUNDS AS MALT1 INHIBITORS LUPIN LIMITED (IN) 2019-09-12 — — US disclosed
EP-3490995-A1 SUBSTITUTED THIAZOLO-PYRIDINE COMPOUNDS AS MALT1 INHIBITORS Lupin Limited (IN) 2019-06-05 — — EP disclosed
US-20190160045-A1 SUBSTITUTED THIAZOLO-PYRIDINE COMPOUNDS AS MALT1 INHIBITORS LUPIN LTD (IN) 2019-05-30 — — US disclosed
WO-2018020474-A1 SUBSTITUTED THIAZOLO-PYRIDINE COMPOUNDS AS MALT1 INHIBITORS LUPIN LIMITED (IN) 2018-02-01 — — 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 (4 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-20220281819-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE VHL, NQO1, PCSK9 MERTK 3682/4885PIN1 510/4885MAPT 266/4885
US-20210052556-A1 SUBSTITUTED THIAZOLO-PYRIDINE COMPOUNDS AS MALT1 INHIBITORS MALT1, PTP4A1, PTPRO MERTK 195/4885PIN1 512/4885MAPT 2864/4885
US-20190275012-A9 SUBSTITUTED THIAZOLO-PYRIDINE COMPOUNDS AS MALT1 INHIBITORS MALT1, PTP4A1, PTPRO MERTK 195/4885PIN1 512/4885MAPT 2864/4885
US-20190160045-A1 SUBSTITUTED THIAZOLO-PYRIDINE COMPOUNDS AS MALT1 INHIBITORS MALT1, PTP4A1, PTPRO MERTK 195/4885PIN1 512/4885MAPT 2864/4885

“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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