Sugi Predict

Sugi Predict / Compounds / SCHEMBL4074552

SCHEMBL4074552

SCHEMBL4074552

CCOc1cc([N+](=O)[O-])ccc1Br

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.51
▸ ALDH1A1 P00352 4/20 0.51
▸ MAPT P10636 3/20 0.51
▸ NPSR1 Q6W5P4 2/20 0.51
▸ LMNA P02545 1/20 0.51
▸ MEN1 O00255 3/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ HTT P42858 2/20 0.47
▸ PTGS2 P35354 1/20 0.46
▸ NPBWR1 P48145 1/20 0.46
▸ MCHR1 Q99705 1/20 0.46
▸ TAAR1 Q96RJ0 1/20 0.45
▸ CYP19A1 P11511 3/20 0.45
▸ POLB P06746 2/20 0.44
▸ CYP3A4 P08684 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43

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
SCHEMBL30962745 1.00 KMT2A (0.51) KMT2AALDH1A1MAPTNPSR1LMNA
SCHEMBL6750055 0.87 CYP19A1 (0.59) KMT2AALDH1A1MAPTNPSR1LMNA
SCHEMBL2911094 0.87 KMT2A (0.58) KMT2AALDH1A1MAPTNPSR1LMNA
SCHEMBL8360755 0.86 CYP19A1 (0.54) KMT2AALDH1A1MAPTNPSR1LMNA
SCHEMBL22502358 0.84 CYP19A1 (0.60) KMT2AALDH1A1MAPTNPSR1LMNA
SCHEMBL30365378 0.84 MAPT (0.62) KMT2AALDH1A1MAPTNPSR1LMNA
SCHEMBL4238772 0.84 MAPT (0.62) KMT2AALDH1A1MAPTNPSR1LMNA
SCHEMBL30659446 0.84 ATM (0.43) KMT2AALDH1A1MAPTNPSR1LMNA
SCHEMBL1579631 0.83 HTT (0.47) KMT2AALDH1A1MAPTNPSR1LMNA
SCHEMBL30727257 0.83 HTT (0.47) KMT2AALDH1A1MAPTNPSR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4642767-A1 PYRIMIDINE CARBOXAMIDE COMPOUNDS Acrivon Therapeutics, Inc. (US) 2025-11-05 — — EP disclosed
WO-2024145505-A1 PYRIMIDINE CARBOXAMIDE COMPOUNDS ACRIVON THERAPEUTICS, INC. (US) 2024-07-04 — — WO disclosed
CN-111377907-B Polysubstituted phenylamino pyrimidine derivative and preparation method and application thereof 杭州百新生物医药科技有限公司 2023-03-28 — — CN disclosed
US-20230019491-A1 PYRIMIDINE TBK/IKKe INHIBITOR COMPOUNDS AND USES THEREOF EMD Serono Research and Development Institute, Inc. 2023-01-19 — — US disclosed
EP-3697772-A1 PYRIMIDINE TBK/IKK INHIBITOR COMPOUNDS AND USES THEREOF Merck Patent GmbH (DE) 2020-08-26 — — EP disclosed
CN-111377907-A Polysubstituted phenylamino pyrimidine derivative and preparation method and application thereof 杭州百新生物医药科技有限公司 2020-07-07 — — CN disclosed
WO-2020135507-A1 POLYSUBSTITUTED ANILINOPYRIMIDINE DERIVATIVE AND PREPARATION METHOD AND APPLICATION THEREOF 杭州百新生物医药科技有限公司 2020-07-02 — — WO disclosed
CN-111247135-A Pyrimidine T-K/I-K-P inhibitor compound and application thereof 默克专利股份公司 2020-06-05 — — CN disclosed
WO-2019079373-A1 PYRIMIDINE TBK/IKKε INHIBITOR COMPOUNDS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-04-25 — — WO disclosed
EP-3268360-B1 LACTAMS AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2019-04-24 — — EP disclosed
EP-2582699-A1 SUBSTITUTED TRIAZOLOPYRIDINES Bayer Intellectual Property GmbH (DE) 2013-04-24 — — EP disclosed
WO-2012160029-A1 SUBSTITUTED TRIAZOLOPYRIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-11-29 — — WO disclosed
WO-2012143329-A1 TRIAZOLOPYRIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-10-26 — — WO disclosed
WO-2011157688-A1 SUBSTITUTED TRIAZOLOPYRIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-22 — — WO disclosed
US-20090270450-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2009-10-29 — — US disclosed
EP-2084134-A1 CHEMICAL COMPOUNDS AstraZeneca AB (SE) 2009-08-05 — — EP disclosed
WO-2008056148-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2008-05-15 — — WO disclosed
US-6706754-B2 ANTIPROTOZOA AGENTS, PARASITICIDES THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY 2004-03-16 — — US disclosed
US-20020156098-A1 Reversed amidines and methods of using for treating, preventing, or inhibiting leishmaniasis ARMY, UNITED STATES 2002-10-24 — — US disclosed
WO-2002036588-A2 REVERSED AMIDINES AND METHODS OF USING FOR TREATING, PREVENTING, OR INHIBITING LEISHMANIASIS U.S. ARMY MEDICAL RESEARCH AND MATERIEL COMMAND (US) 2002-05-10 — — 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-20230019491-A1 PYRIMIDINE TBK/IKKe INHIBITOR COMPOUNDS AND USES THEREOF DTYMK, TBKBP1, NFKBIA KMT2A 2574/4885ALDH1A1 3953/4885MAPT 1313/4885
US-20020156098-A1 Reversed amidines and methods of using for treating, preventing, or inhibiting leishmaniasis ARG1, NAT1, CTSA KMT2A 1614/4885ALDH1A1 3016/4885MAPT 4882/4885
US-20090270450-A1 CHEMICAL COMPOUNDS CSF1R, CSF3R, FLT3 KMT2A 1288/4885ALDH1A1 753/4885MAPT 3172/4885

“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.