SCHEMBL2935849

SCHEMBL2935849

CSc1cc(O)ccc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.45
EGFR P00533 1/20 0.44
GPR35 Q9HC97 5/20 0.43
AR P10275 1/20 0.41
TSHR P16473 4/20 0.41
CYP3A4 P08684 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
ALDH1A1 P00352 2/20 0.40
ALOX15 P16050 1/20 0.40
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CASP6 P55212 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL29662266 1.00 BACE1 (0.45) BACE1EGFRGPR35ARTSHR
SCHEMBL9017792 0.85 TXNRD1 (0.46) BACE1EGFRGPR35ARNPSR1
SCHEMBL20150186 0.81 TSHR (0.64) GPR35TSHRCYP3A4ALDH1A1MEN1
SCHEMBL29662268 0.78 ATM (0.58) TSHRCYP3A4ALDH1A1MAPK1
SCHEMBL2545546 0.78 MAPK1 (0.58) TSHRALDH1A1MAPK1KMT2A
SCHEMBL5423544 0.78 PDE7A (0.42) EGFRTSHRCYP3A4MAPK1SMN1; SMN2
SCHEMBL1151368 0.78 ATM (0.58) TSHRCYP3A4ALDH1A1MAPK1
SCHEMBL8446725 0.78 TSHR (0.58) TSHRCYP3A4NPSR1RXFP1ALDH1A1
SCHEMBL11680786 0.77 CASP6 (0.64) TSHRALDH1A1CASP6MEN1KMT2A
Ethane SCHEMBL27988634 0.76 TSHR (0.57) BACE1EGFRGPR35ARTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023237759-A1 DIHYDRO[1,8]NAPHTHYRIDIN-7-ONE AND PYRIDO[3,2-B][1,4]OXAZIN-3-ONE FOR USE IN TREATING CANCER, AND METASTASES IN PARTICULAR ANAGENESIS BIOTECHNOLOGIES (FR) 2023-12-14 WO disclosed
EP-4289427-A1 DIHYDRO[1,8]NAPHTHYRIDIN-7-ONE AND PYRIDO[3,2-B][1,4]OXAZIN-3-ONE FOR USE IN TREATING CANCER, AND METASTASES IN PARTICULAR. Anagenesis Biotechnologies (FR) 2023-12-13 EP disclosed
US-9540372-B2 Pyrido[2,3-b]pyrazin-8-substituted compounds and their use INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE) (GB) 2017-01-10 US disclosed
US-9540372-B2 Pyrido[2,3-b]pyrazin-8-substituted compounds and their use INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE) (GB) 2017-01-10 US disclosed
US-9540372-B2 Pyrido[2,3-b]pyrazin-8-substituted compounds and their use INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE) (GB) 2017-01-10 US disclosed
US-20160002230-A1 PYRIDO[2,3-B]PYRAZIN-8-SUBSTITUTED COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2016-01-07 US disclosed
US-20160002230-A1 PYRIDO[2,3-B]PYRAZIN-8-SUBSTITUTED COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2016-01-07 US disclosed
US-20160002230-A1 PYRIDO[2,3-B]PYRAZIN-8-SUBSTITUTED COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2016-01-07 US disclosed
US-9155737-B2 Pyrido[2,3-B]pyrazin-8-substituted compounds and their use INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE) (GB) 2015-10-13 US disclosed
US-9155737-B2 Pyrido[2,3-B]pyrazin-8-substituted compounds and their use INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE) (GB) 2015-10-13 US disclosed
US-20070287838-A1 Imidazo[4,5-B]Pyridin-2-One and Oxazolo[4,5-B]Pyridin-2-One Compounds and Analogs Thereof as Therapeutic Compounds CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2007-12-13 US disclosed
US-20070287838-A1 Imidazo[4,5-B]Pyridin-2-One and Oxazolo[4,5-B]Pyridin-2-One Compounds and Analogs Thereof as Therapeutic Compounds CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2007-12-13 US disclosed
US-20070287838-A1 Imidazo[4,5-B]Pyridin-2-One and Oxazolo[4,5-B]Pyridin-2-One Compounds and Analogs Thereof as Therapeutic Compounds CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2007-12-13 US disclosed
EP-1812433-A1 IMIDAZO[4,5-B]PYRIDIN-2-ONE AND OXAZOLO[4,5-B]PYRIDIN-2-ONE COMPOUNDS AND ANALOGS THEREOF AS THERAPEUTIC COMPOUNDS Cancer Research Technology Limited (GB) 2007-08-01 EP disclosed
WO-2006043090-A1 IMIDAZO[4,5-B]PYRIDIN-2-ONE AND OXAZOLO[4,5-B]PYRIDIN-2-ONE COMPOUNDS AND ANALOGS THEREOF AS THERAPEUTIC COMPOUNDS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2006-04-27 WO disclosed
EP-1608639-A2 NOVEL BICYCLIC UREA DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISORDERS Bayer Pharmaceuticals Corporation (US) 2005-12-28 EP disclosed
EP-1599467-A1 NOVEL CYANOPYRIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISORDERS Bayer Pharmaceuticals Corporation (US) 2005-11-30 EP disclosed
US-20050038031-A1 Novel bicyclic urea derivatives useful in the treatment of cancer and other disorders BAYER HEALTHCARE LLC 2005-02-17 US disclosed
WO-2004078747-A1 NOVEL CYANOPYRIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISORDERS BAYER PHARMACEUTICALS CORPORATION (US) 2004-09-16 WO disclosed
WO-2004078748-A2 NOVEL BICYCLIC UREA DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISORDERS BAYER PHARMACEUTICALS CORPORATION (US) 2004-09-16 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-20050038031-A1 Novel bicyclic urea derivatives useful in the treatment of cancer and other disorders CCNC, UACA, SLC14A1 BACE1 4389/4885EGFR 600/4885GPR35 2174/4885
US-20160002230-A1 PYRIDO[2,3-B]PYRAZIN-8-SUBSTITUTED COMPOUNDS AND THEIR USE BRAF, NRAS, RAF1 BACE1 2789/4885EGFR 13/4885GPR35 1376/4885
US-20070287838-A1 Imidazo[4,5-B]Pyridin-2-One and Oxazolo[4,5-B]Pyridin-2-One Compounds and Analogs Thereof as Therapeutic Compounds NR2E1, NR0B1, BRAF BACE1 2920/4885EGFR 333/4885GPR35 4331/4885

“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.