SCHEMBL345273

SCHEMBL345273

Nc1cc([N+](=O)[O-])ccn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
TDP1 Q9NUW8 3/20 0.48
CYP3A4 P08684 2/20 0.47
LMNA P02545 3/20 0.46
TSHR P16473 2/20 0.46
GAA P10253 1/20 0.46
THRB P10828 1/20 0.46
ROCK1 Q13464 2/20 0.45
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
NOS3 P29474 1/20 0.43
NOS1 P29475 1/20 0.43
NOS2 P35228 1/20 0.43
KMT2A Q03164 1/20 0.43
CDC7 O00311 1/20 0.43
PDE4D Q08499 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
GABRP O00591 1/20 0.42
GABRD O14764 1/20 0.42

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
SCHEMBL3311690 1.00 ALDH1A1 (0.48) ALDH1A1TDP1CYP3A4LMNATSHR
Tert-Butylamine SCHEMBL27701396 0.91 TDP1 (0.44) ALDH1A1TDP1CYP3A4LMNATSHR
SCHEMBL826630 0.78 TSHR (0.50) ALDH1A1TDP1CYP3A4LMNATSHR
SCHEMBL30749767 0.78 HSD17B10 (0.48) ALDH1A1TDP1CYP3A4LMNATSHR
SCHEMBL30389430 0.78 ALDH1A1 (0.46) ALDH1A1TDP1CYP3A4LMNATSHR
SCHEMBL3638370 0.77 ALDH1A1 (0.52) ALDH1A1LMNATSHRROCK1MEN1
SCHEMBL28720537 0.77 TSHR (0.48) ALDH1A1TDP1CYP3A4LMNATSHR
SCHEMBL1890124 0.76 ALDH1A1 (0.59) ALDH1A1CYP3A4LMNAKDM4EMEN1
SCHEMBL3552198 0.76 ALDH1A1 (0.59) ALDH1A1CYP3A4LMNAKDM4EMEN1
SCHEMBL23829919 0.75 ALDH1A1 (0.47) ALDH1A1TDP1CYP3A4LMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103420904-A Method for preparing 2,4-diaminopyridine ASCEPION PHARMACEUTICALS INC 2013-12-04 CN claimed
EP-2090571-B1 Pyrimidine derivates, medicaments comprising them, their use and process of their preparation BOEHRINGER INGELHEIM PHARMA (DE) 2012-05-16 EP claimed
US-7709480-B2 Pyrimidine derivatives BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-05-04 US claimed
EP-1438053-B1 PYRIMIDINE DERIVATIVES, PHARMACEUTICAL AGENT CONTAINING SAID COMPOUNDS, USE AND METHOD FOR MAKING SAME BOEHRINGER INGELHEIM PHARMA (DE) 2008-09-10 EP claimed
US-7173028-B2 Pyrimidine derivatives BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-02-06 US claimed
US-20060100211-A1 Pyrimidine derivatives BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-05-11 US claimed
US-20030171359-A1 Suitable for treatment of illnesses characterised by excessive or abnormal cell proliferation; viral, bacterial, fungal and/or parasitic infections, skin diseases, bone diseases, cardiovascular diseases BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-09-11 US claimed
CN-121537339-A 4,4' - (Propane-2, 2-diyl) bis (2- ((4-aminopyridine-2-yl) amino) phenol), and synthesis method and application thereof 山东阳谷华泰化工股份有限公司 2026-02-17 CN disclosed
CN-121405617-A 2- ((4-Aminopyridine-2-yl) amino) -4-methylphenol and synthetic method and application thereof 山东阳谷华泰化工股份有限公司 2026-01-27 CN disclosed
US-12479826-B2 Pyridazinyl amino derivatives as ALK5 inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2025-11-25 US disclosed
EP-4419525-B1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF CANCER ARTIOS PHARMA LTD (GB) 2025-07-23 EP disclosed
US-20250230165-A1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF CANCER ARTIOS PHARMA LIMITED (GB) 2025-07-17 US disclosed
US-20250011299-A1 PYRIDAZINYL AMINO DERIVATIVES AS ALK5 INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2025-01-09 US disclosed
US-6168843-B1 LIGHT RESISTANCE; FOR COMPACT DISKS TDK CORPORATION (JP) 2001-01-02 US disclosed
US-6165998-A Antifungal agents SCRIPTGEN PHARMACEUTICALS, INC. (US) 2000-12-26 US disclosed
EP-1008383-A1 LIPOPROTEIN ADSORBENT AND LIPOPROTEIN ADSORBER MADE WITH THE USE OF THE SAME KANEKA CORPORATION (JP) 2000-06-14 EP disclosed
WO-1999013714-A1 ANTIFUNGAL AGENTS SCRIPTGEN PHARMACEUTICALS, INC. (US) 1999-03-25 WO disclosed
EP-0887202-A1 OPTICAL RECORDING MEDIUM TDK Corporation (JP) 1998-12-30 EP disclosed
WO-1995015009-A1 POROUS CRYSTALLINE MATERIALS HAVING NONLINEAR OPTICAL PROPERTIES MOBIL OIL CORPORATION (US) 1995-06-01 WO disclosed
US-5348687-A M41S materials having nonlinear optical properties MOBIL OIL CORP. (US) 1994-09-20 US 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-20060100211-A1 Pyrimidine derivatives TYMP, TYMS, DPYD ALDH1A1 252/4885TDP1 166/4885CYP3A4 721/4885
US-12479826-B2 Pyridazinyl amino derivatives as ALK5 inhibitors ALK, TGFBR1, ACVR1 ALDH1A1 742/4885TDP1 2987/4885CYP3A4 3647/4885
US-20250011299-A1 PYRIDAZINYL AMINO DERIVATIVES AS ALK5 INHIBITORS ALK, TGFBR1, ACVR1 ALDH1A1 742/4885TDP1 2987/4885CYP3A4 3647/4885
US-20030171359-A1 Suitable for treatment of illnesses characterised by excessive or abnormal cell proliferation; viral, bacterial, fungal and/or parasitic infections, skin diseases, bone diseases, cardiovascular diseases COL1A1, MKI67, INSR ALDH1A1 605/4885TDP1 795/4885CYP3A4 885/4885
US-20250230165-A1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF CANCER NQO1, VHL, SDHA ALDH1A1 174/4885TDP1 775/4885CYP3A4 35/4885

“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.