SCHEMBL6691919

SCHEMBL6691919

CC(=O)N1CCc2cccc([N+](=O)[O-])c21

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.60
HPGD P15428 1/20 0.46
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
MAPT P10636 4/20 0.43
MAPK1 P28482 2/20 0.43
PKM P14618 1/20 0.43
ALDH1A1 P00352 5/20 0.43
LMNA P02545 2/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL29216430 0.92 NOTUM (0.52) NOTUMHPGDRAB9ANPC1MAPT
SCHEMBL27796854 0.87 HPGD (0.47) NOTUMHPGDRAB9ANPC1MAPT
SCHEMBL13002995 0.85 HPGD (0.46) NOTUMHPGDRAB9ANPC1MAPT
SCHEMBL9800935 0.85 HPGD (0.46) NOTUMHPGDRAB9ANPC1MAPT
SCHEMBL25014859 0.85 MEN1 (0.54) NOTUMHPGDRAB9ANPC1ALDH1A1
SCHEMBL12919995 0.85 ALDH1A1 (0.54) NOTUMHPGDRAB9ANPC1MAPT
SCHEMBL13309263 0.85 RAB9A (0.45) NOTUMHPGDRAB9ANPC1MAPT
SCHEMBL13309261 0.85 HTR2A (0.45) NOTUMHPGDRAB9ANPC1MAPT
SCHEMBL20897098 0.82 RAB9A (0.47) NOTUMHPGDRAB9ANPC1MAPT
SCHEMBL19193156 0.81 ALDH1A1 (0.43) NOTUMHPGDRAB9ANPC1MAPT

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240343694-A1 PYRIMIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER COMPRISING SAME AS ACTIVE INGREDIENT KOREA RESERARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2024-10-17 US disclosed
EP-4382514-A1 PYRIMIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER COMPRISING SAME AS ACTIVE INGREDIENT Korea Research Institute of Chemical Technology (KR) 2024-06-12 EP disclosed
CN-118139847-A Pyrimidine derivatives, process for preparing the same, and pharmaceutical composition for preventing or treating cancer comprising the same as active ingredient 韩国化学研究院 2024-06-04 CN disclosed
EP-4371983-A1 NOVEL PYRIMIDINE-2,4-DIAMINE DERIVATIVES, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR PREVENTION OR TREATMENT OF CANCER Korea Research Institute of Chemical Technology (KR) 2024-05-22 EP disclosed
CN-117794914-A Pyrimidine-2, 4-diamine derivatives, process for preparing the same, and pharmaceutical composition for preventing or treating cancer comprising the same as active ingredient 韩国化学研究院 2024-03-29 CN disclosed
US-20230346942-A1 MACROMOLECULAR PRODRUGS FOR LIGHT-EMITTING DIODES AND USES THEREOF CHILDREN'S MEDICAL CENTER CORPORATION (US) 2023-11-02 US disclosed
WO-2023287130-A1 NOVEL PYRIMIDINE-2,4-DIAMINE DERIVATIVES, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR PREVENTION OR TREATMENT OF CANCER 한국화학연구원 2023-01-19 WO disclosed
US-20110028350-A1 PHOTOCLEAVABLE PROTECTING GROUPS AFFYMETRIX, INC. (US) 2011-02-03 US disclosed
US-20110028350-A1 PHOTOCLEAVABLE PROTECTING GROUPS AFFYMETRIX, INC. (US) 2011-02-03 US disclosed
US-20100324266-A1 Photocleavable Protecting Groups AFFYMETRIX, INC. (US) 2010-12-23 US disclosed
US-7737169-B2 Anionically substituted 7-nitroindoline derivatives and their uses MEDICAL RESEARCH COUNCIL (GB) 2010-06-15 US disclosed
US-20090076295-A1 PHOTOCLEAVABLE PROTECTING GROUPS AFFYMETRIX, INC. (US) 2009-03-19 US disclosed
US-20090076295-A1 PHOTOCLEAVABLE PROTECTING GROUPS AFFYMETRIX, INC. (US) 2009-03-19 US disclosed
US-20070203099-A1 Anionically substituted 7-nitroindoline derivatives and their uses UNITED KINGDOM RESEARCH AND INNOVATION (GB) 2007-08-30 US disclosed
WO-2004085394-A1 7-NITROINDOLINE DERIVATIVES AND THEIR USES MEDICAL RESEARCH COUNCIL (GB) 2004-10-07 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 (6 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-20100324266-A1 Photocleavable Protecting Groups POLL, PCNA, ERCC4 NOTUM 1719/4885HPGD 3765/4885RAB9A 3825/4885
US-20070203099-A1 Anionically substituted 7-nitroindoline derivatives and their uses SLC18A3, SLC18A1, SLC18A2 NOTUM 4240/4885HPGD 265/4885RAB9A 550/4885
US-20090076295-A1 PHOTOCLEAVABLE PROTECTING GROUPS POLL, PCNA, ERCC4 NOTUM 1719/4885HPGD 3765/4885RAB9A 3825/4885
US-20240343694-A1 PYRIMIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER COMPRISING SAME AS ACTIVE INGREDIENT ERBB2, EGFR, DPYD NOTUM 228/4885HPGD 319/4885RAB9A 3780/4885
US-20110028350-A1 PHOTOCLEAVABLE PROTECTING GROUPS POLL, ERCC5, FBL NOTUM 900/4885HPGD 3679/4885RAB9A 3806/4885
US-20230346942-A1 MACROMOLECULAR PRODRUGS FOR LIGHT-EMITTING DIODES AND USES THEREOF CRY1, MAPT, PYGL NOTUM 3190/4885HPGD 292/4885RAB9A 919/4885

“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.