Sugi Predict

Sugi Predict / Compounds / SCHEMBL285845

SCHEMBL285845

SCHEMBL285845

O=Cc1c(F)ccc([N+](=O)[O-])c1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VCAM1 P19320 2/20 0.46
▸ ATM Q13315 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.44
▸ HIF1A Q16665 2/20 0.44
▸ CASP6 P55212 1/20 0.41
▸ CYP2C9 P11712 2/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP3A4 P08684 2/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ TSHR P16473 2/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ XDH P47989 1/20 0.37
▸ ALDH5A1 P51649 1/20 0.37
▸ ABAT P80404 1/20 0.37
▸ ERN1 O75460 1/20 0.37
▸ MAPT P10636 3/20 0.36
▸ LMNA P02545 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
SCHEMBL9098746 0.85 VCAM1 (0.46) VCAM1ATMTDP1ALDH1A1HIF1A
SCHEMBL11900995 0.83 VCAM1 (0.44) VCAM1ATMTDP1ALDH1A1HIF1A
SCHEMBL25339295 0.81 VCAM1 (0.43) VCAM1ATMTDP1ALDH1A1HIF1A
SCHEMBL4469699 0.81 TDP1 (0.48) VCAM1ATMTDP1ALDH1A1HIF1A
SCHEMBL15776847 0.81 TDP1 (0.47) VCAM1ATMTDP1ALDH1A1HIF1A
SCHEMBL7274144 0.79 VCAM1 (0.41) VCAM1ATMTDP1ALDH1A1HIF1A
SCHEMBL29137985 0.78 TDP1 (0.44) VCAM1ATMTDP1ALDH1A1HIF1A
SCHEMBL31120617 0.78 VCAM1 (0.43) VCAM1ATMTDP1ALDH1A1HIF1A
SCHEMBL20919140 0.78 ALDH1A1 (0.49) TDP1ALDH1A1CYP2C9CYP2D6CYP3A4
SCHEMBL29158045 0.78 ALDH1A1 (0.42) VCAM1ATMTDP1ALDH1A1HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015075749-A1 NOVEL PROCESSES FOR THE PREPARATION OF VEMURAFENIB LAURUS LABS PRIVATE LIMITED (IN) 2015-05-28 — — WO claimed
US-20240327435-A1 AMINO-SUBSTITUTED HETEROCYCLES FOR TREATING CANCERS WITH EGFR MUTATIONS NUVALENT, INC. 2024-10-03 — — US disclosed
CN-118459485-A Amino-substituted heterocycles for the treatment of cancers with EGFR mutations 纽威伦特公司 2024-08-09 — — CN disclosed
US-12037346-B2 Amino-substituted heteroaryls for treating cancers with EGFR mutations NUVALENT, INC. (US) 2024-07-16 — — US disclosed
US-12037346-B2 Amino-substituted heteroaryls for treating cancers with EGFR mutations NUVALENT, INC. (US) 2024-07-16 — — US disclosed
US-20240150345-A1 GCN2 MODULATING COMPOUNDS AND USES THEREOF PHARMARON UK LTD. (GB) 2024-05-09 — — US disclosed
CN-112424201-B Protein kinase inhibitors that promote liver regeneration or reduce or prevent hepatocyte death 海帕瑞吉尼克斯股份有限公司 2024-04-02 — — CN disclosed
EP-4323356-A1 AMINO-SUBSTITUTED HETEROCYCLES FOR TREATING CANCERS WITH EGFR MUTATIONS Nuvalent, Inc. (US) 2024-02-21 — — EP disclosed
CN-117510491-A Compounds and methods for rapid accelerated targeted degradation of fibrosarcoma polypeptides 阿尔维纳斯运营股份有限公司 2024-02-06 — — CN disclosed
CN-117500803-A Amino-substituted heterocycles for the treatment of cancers with EGFR mutations 纽威伦特公司 2024-02-02 — — CN disclosed
EP-2427462-A1 PYRROLO [2, 3. B]PYRIDINES WHICH INHIBIT RAF PROTEIN KINASE Plexxikon, Inc. (US) 2012-03-14 — — EP disclosed
US-20110190257-A1 BICYCLIC HETEROCYCLES AS MEK KINASE INHIBITORS GENETECH, INC. (US) 2011-08-04 — — US disclosed
US-20110190257-A1 BICYCLIC HETEROCYCLES AS MEK KINASE INHIBITORS GENETECH, INC. (US) 2011-08-04 — — US disclosed
US-20110183988-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2011-07-28 — — US disclosed
WO-2011079133-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2011-06-30 — — WO disclosed
EP-2310373-A1 BICYCLIC HETEROCYCLES AS MEK KINASE INHIBITORS Genentech, Inc. (US) 2011-04-20 — — EP disclosed
WO-2010129567-A1 PYRROLO [2, 3. B] PYRIDINES WHICH INHIBIT RAF PROTEIN KINASE PLEXXIKON, INC. (US) 2010-11-11 — — WO disclosed
WO-2010003025-A1 BICYCLIC HETEROCYCLES AS MEK KINASE INHIBITORS GENENTECH, INC. (US) 2010-01-07 — — WO disclosed
WO-2003080564-A1 MENTHOL SUBSTITUTED ANTITHROMBOTIC PAI-1 INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 2003-10-02 — — WO disclosed
EP-0174131-A2 Dihydropyridines, processes and intermediates for their production, and pharmaceutical formulations containing them FISONS plc (GB) 1986-03-12 — — EP 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-20110190257-A1 BICYCLIC HETEROCYCLES AS MEK KINASE INHIBITORS MAP2K7, MAP3K1, MAP3K5 VCAM1 2323/4885ATM 1109/4885TDP1 1584/4885
US-12037346-B2 Amino-substituted heteroaryls for treating cancers with EGFR mutations EGFR, ERBB2, ERBB3 VCAM1 4806/4885ATM 124/4885TDP1 2645/4885
US-20240150345-A1 GCN2 MODULATING COMPOUNDS AND USES THEREOF EIF2AK4, GCN1, CLN6 VCAM1 4511/4885ATM 2995/4885TDP1 1382/4885
US-20110183988-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR BRAF, ARAF, NRAS VCAM1 1204/4885ATM 1082/4885TDP1 3781/4885
US-20240327435-A1 AMINO-SUBSTITUTED HETEROCYCLES FOR TREATING CANCERS WITH EGFR MUTATIONS EGFR, ERBB2, ERBB4 VCAM1 4825/4885ATM 42/4885TDP1 1798/4885

“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.