Sugi Predict

Sugi Predict / Compounds / SCHEMBL3441990

SCHEMBL3441990

SCHEMBL3441990

COCCOc1ccc([N+](=O)[O-])cc1F

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR4 O95977 2/20 0.66
▸ MAPT P10636 5/20 0.53
▸ SMN1; SMN2 Q16637 3/20 0.53
▸ NPSR1 Q6W5P4 2/20 0.53
▸ POLB P06746 1/20 0.53
▸ HPGD P15428 3/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ HSPB1 P04792 4/20 0.47
▸ TDP1 Q9NUW8 2/20 0.46
▸ LMNA P02545 3/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ KMT2A Q03164 2/20 0.45
▸ CYP19A1 P11511 1/20 0.44
▸ HTT P42858 1/20 0.44

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
SCHEMBL30672731 1.00 S1PR4 (0.66) S1PR4MAPTSMN1; SMN2NPSR1POLB
SCHEMBL12518698 0.96 S1PR4 (0.62) S1PR4MAPTSMN1; SMN2NPSR1POLB
SCHEMBL2144346 0.88 S1PR4 (0.52) S1PR4MAPTSMN1; SMN2NPSR1POLB
SCHEMBL29400372 0.88 S1PR4 (0.52) S1PR4MAPTSMN1; SMN2NPSR1POLB
SCHEMBL2002273 0.86 MAPT (0.55) S1PR4MAPTSMN1; SMN2NPSR1HPGD
SCHEMBL4402735 0.85 S1PR4 (0.62) S1PR4MAPTSMN1; SMN2NPSR1HPGD
SCHEMBL22381243 0.85 S1PR4 (0.62) S1PR4MAPTSMN1; SMN2CYP2D6HSPB1
SCHEMBL13175608 0.84 S1PR4 (0.61) S1PR4MAPTSMN1; SMN2NPSR1POLB
SCHEMBL6255209 0.83 ALDH1A1 (0.53) S1PR4MAPTSMN1; SMN2HPGDRAB9A
SCHEMBL6431028 0.83 MAPT (0.59) S1PR4MAPTSMN1; SMN2HPGDRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-112592334-A Pyrimidine derivatives as kinase inhibitors 艾森生物科学公司 2021-04-02 — — CN disclosed
EP-2776398-B1 SUBSTITUTED PYRAZOLYL-BASED UREA DERIVATIVES AS VANILLOID RECEPTOR LIGANDS MEDIFRON DBT INC (KR) 2020-09-02 — — EP 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
US-9920074-B2 Heterocyclic compounds and uses thereof ACEA BIOSCIENCES INC. (US) 2018-03-20 — — US disclosed
US-9920074-B2 Heterocyclic compounds and uses thereof ACEA BIOSCIENCES INC. (US) 2018-03-20 — — US disclosed
US-9624209-B2 Substituted phenylureas and phenylamides as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2017-04-18 — — US disclosed
EP-1828185-B1 2-PYRIMIDINYL PYRAZOLOPYRIDINE ERBB KINASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2009-05-06 — — EP disclosed
US-20080051395-A1 2-Pyrimidinyl Pyrazolopyridine Erbb Kinase Inhibitors SMITHKLINE BEECHAM CORPORATION 2008-02-28 — — US disclosed
EP-1828185-A2 2-PYRIMIDINYL PYRAZOLOPYRIDINE ERBB KINASE INHIBITORS SmithKline Beecham Corporation (US) 2007-09-05 — — EP disclosed
WO-2006068826-A2 2-PYRIMIDINYL PYRAZOLOPYRIDINE ERBB KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2006-06-29 — — WO disclosed
EP-1499594-B1 PROCESS FOR THE PREPARATION OF 7-SUBSTITUTED-3-QUINOLINE AND 3-QUINOL-4-ONE CARBONITRILES WYETH CORP (US) 2005-08-17 — — EP disclosed
EP-1499594-A1 PROCESS FOR THE PREPARATION OF 7-SUBSTITUTED-3-QUINOLINE AND 3-QUINOL-4-ONE CARBONITRILES Wyeth Holdings Corporation (US) 2005-01-26 — — EP disclosed
US-6780996-B2 KINASE INHIBITORS; ANTICANCER AGENTS WYETH HOLDINGS CORPORATION 2004-08-24 — — US disclosed
US-20030212276-A1 Process for the preparation of 7-substituted-3 quinolinecarbonitriles WYETH HOLDINGS CORPORATION 2003-11-13 — — US disclosed
WO-2003093241-A1 PROCESS FOR THE PREPARATION OF 7-SUBSTITUTED-3-QUINOLINE AND 3-QUINOL-4-ONE CARBONITRILES WYETH HOLDINGS CORPORATION (US) 2003-11-13 — — WO disclosed
EP-1130016-A1 THIOCARBAMIC ACID DERIVATIVES HOKURIKU SEIYAKU CO., LTD. (JP) 2001-09-05 — — 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 (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-10562918-B2 Heterocyclic compounds and uses thereof BMX, BLK, BTK S1PR4 869/4885MAPT 2803/4885SMN1; SMN2 4620/4885
US-20030212276-A1 Process for the preparation of 7-substituted-3 quinolinecarbonitriles MAP4K2, MAP3K7, MAP4K1 S1PR4 4448/4885MAPT 4500/4885SMN1; SMN2 3974/4885
US-20080051395-A1 2-Pyrimidinyl Pyrazolopyridine Erbb Kinase Inhibitors ERBB2, ERBB3, ERBB4 S1PR4 1371/4885MAPT 2888/4885SMN1; SMN2 4426/4885
US-20180251475-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF BMX, BLK, BTK S1PR4 869/4885MAPT 2803/4885SMN1; SMN2 4620/4885

“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.