Sugi Predict

Sugi Predict / Compounds / SCHEMBL3033674

SCHEMBL3033674

SCHEMBL3033674

COCCN(C)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.64
▸ CRHBP P24387 2/20 0.50
▸ CRHR2 Q13324 2/20 0.50
▸ MMP14 P50281 1/20 0.50
▸ L3MBTL1 Q9Y468 3/20 0.46
▸ CYP3A4 P08684 2/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ PHLPP2 Q6ZVD8 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ POLB P06746 2/20 0.46
▸ KCNH2 Q12809 4/20 0.44
▸ ALDH1A1 P00352 3/20 0.43
▸ ATM Q13315 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ TLR9 Q9NR96 1/20 0.43
▸ GAA P10253 2/20 0.43
▸ HSD17B10 Q99714 2/20 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
SCHEMBL5133161 0.93 MAPT (0.56) MAPTCRHBPCRHR2MMP14L3MBTL1
SCHEMBL18660127 0.86 MAPT (0.77) MAPTCRHBPCRHR2MMP14L3MBTL1
SCHEMBL12006709 0.85 POLB (0.52) MAPTCRHBPCRHR2L3MBTL1CYP3A4
SCHEMBL18967271 0.82 MAOB (0.62) MAPT
SCHEMBL18562081 0.82 BRAF (0.41) MAPTTSHRALDH1A1MEN1KMT2A
SCHEMBL16706324 0.81 MAPT (0.81) MAPTCRHBPCRHR2MMP14L3MBTL1
SCHEMBL1728626 0.81 MAPT (0.70) MAPTCRHBPCRHR2MMP14L3MBTL1
SCHEMBL27927482 0.79 MAPT (0.68) MAPTCRHBPCRHR2MMP14L3MBTL1
SCHEMBL1729465 0.79 MAPT (0.68) MAPTCRHBPCRHR2MMP14L3MBTL1
SCHEMBL29667979 0.78 ALDH1A1 (0.51) MAPTCRHBPCRHR2MMP14L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250221998-A1 DISCOVERY OF COVALENT EGFR INHIBITOR THROUGH CYSTEINE 775 THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2025-07-10 — — US disclosed
EP-4504730-A1 DISCOVERY OF COVALENT EGFR INHIBITOR THROUGH CYSTEINE 775 Dana-Farber Cancer Institute, Inc. (US) 2025-02-12 — — EP disclosed
CN-119365454-A Discovery of covalent EGFR inhibitors through cysteine 775 丹娜-法伯癌症研究院 2025-01-24 — — CN disclosed
CN-117486865-A Pyrimidine derivatives as kinase inhibitors 艾森医药公司 2024-02-02 — — CN disclosed
CN-112592334-B Pyrimidine derivatives as kinase inhibitors 艾森医药公司 2023-10-27 — — CN disclosed
WO-2023196409-A1 DISCOVERY OF COVALENT EGFR INHIBITOR THROUGH CYSTEINE 775 DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-10-12 — — WO disclosed
CN-112592334-A Pyrimidine derivatives as kinase inhibitors 艾森生物科学公司 2021-04-02 — — CN disclosed
US-10562918-B2 Heterocyclic compounds and uses thereof ACEA Therapeutics, Inc. (US) 2020-02-18 — — US disclosed
EP-3019496-B1 PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS ACEA THERAPEUTICS INC (US) 2019-09-11 — — EP disclosed
US-20180251475-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF ACEA BIOSCIENCES INC. 2018-09-06 — — US disclosed
WO-2015006754-A2 HETEROCYCLIC COMPOUNDS AND USES THEREOF ACEA BIOSCIENCES INC. (US) 2015-01-15 — — WO disclosed
WO-2015006754-A2 HETEROCYCLIC COMPOUNDS AND USES THEREOF ACEA BIOSCIENCES INC. (US) 2015-01-15 — — WO disclosed
US-8178525-B2 FXA inhibitors with cyclic amidoxime or cyclic amidrazone as P4 subunit, processes for their preparations, and pharmaceutical compositions and derivatives thereof LEGOCHEM BIOSCIENCE LTD. (KR) 2012-05-15 — — US disclosed
US-20110112083-A1 FXA INHIBITORS WITH CYCLIC AMIDOXIME OR CYCLIC AMIDRAZONE AS P4 SUBUNIT, PROCESSES FOR THEIR PREPARATIONS, AND PHARMACEUTICAL COMPOSITIONS AND DERIVATIVES THEREOF LEGOCHEM BIOSCIENCE LTD. (KR) 2011-05-12 — — US disclosed
US-20100216791-A1 PYRIDINYLQUINAZOLINAMINE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS ASTRAZENECA (SE) 2010-08-26 — — US disclosed
EP-2038253-A1 BIPHENYL DERIVATIVES AND THEIR USE IN TREATING HEPATITIS C Arrow Therapeutics Limited (GB) 2009-03-25 — — EP disclosed
WO-2008020203-A1 PYRIDINYLQUINAZ0LINAMINE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS ASTRAZENECA AB (SE) 2008-02-21 — — WO disclosed
WO-2007138242-A1 BIPHENYL DERIVATIVES AND THEIR USE IN TREATING HEPATITIS C ARROW THERAPEUTICS LIMITED (GB) 2007-12-06 — — WO disclosed
WO-2007138242-A1 BIPHENYL DERIVATIVES AND THEIR USE IN TREATING HEPATITIS C ARROW THERAPEUTICS LIMITED (GB) 2007-12-06 — — WO disclosed
WO-1993016679-A1 p-PHENYLENE DIAMINE DERIVATIVES AS INITIAL PRODUCTS FOR OXIDATION DYES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1993-09-02 — — 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 (5 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-10562918-B2 Heterocyclic compounds and uses thereof BMX, BLK, BTK MAPT 2803/4885CRHBP 4611/4885CRHR2 4423/4885
US-20100216791-A1 PYRIDINYLQUINAZOLINAMINE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS BRAF, RAF1, ARAF MAPT 4079/4885CRHBP 4701/4885CRHR2 4870/4885
US-20110112083-A1 FXA INHIBITORS WITH CYCLIC AMIDOXIME OR CYCLIC AMIDRAZONE AS P4 SUBUNIT, PROCESSES FOR THEIR PREPARATIONS, AND PHARMACEUTICAL COMPOSITIONS AND DERIVATIVES THEREOF F12, F2, F11 MAPT 4867/4885CRHBP 3567/4885CRHR2 3776/4885
US-20180251475-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF BMX, BLK, BTK MAPT 2803/4885CRHBP 4611/4885CRHR2 4423/4885
US-20250221998-A1 DISCOVERY OF COVALENT EGFR INHIBITOR THROUGH CYSTEINE 775 EGFR, ERBB2, ERBB3 MAPT 3078/4885CRHBP 4064/4885CRHR2 4623/4885

“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.