SCHEMBL13446452

SCHEMBL13446452

CN1CCN(c2ccc([N+](=O)[O-])cc2O)CC1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.61
GAA P10253 5/20 0.61
LMNA P02545 4/20 0.61
HPGD P15428 1/20 0.60
KMT2A Q03164 4/20 0.58
MEN1 O00255 3/20 0.58
CYP1A2 P05177 2/20 0.58
CYP3A4 P08684 2/20 0.58
CYP2C19 P33261 2/20 0.58
CYP2D6 P10635 2/20 0.58
CYP2C9 P11712 1/20 0.58
SIRT6 Q8N6T7 2/20 0.58
WDR5 P61964 4/20 0.57
POLB P06746 1/20 0.57
SMN1; SMN2 Q16637 3/20 0.56
MAPT P10636 2/20 0.56
KDM4E B2RXH2 1/20 0.56
HTT P42858 2/20 0.55

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
SCHEMBL10036125 0.87 ALDH1A1 (0.49) ALDH1A1GAALMNAHPGDKMT2A
SCHEMBL29399979 0.87 ALDH1A1 (0.49) ALDH1A1GAALMNAHPGDKMT2A
SCHEMBL5181158 0.86 GAA (0.67) ALDH1A1GAALMNAHPGDKMT2A
SCHEMBL30721918 0.84 GAA (0.69) ALDH1A1GAALMNAHPGDKMT2A
SCHEMBL26984503 0.84 GAA (0.69) ALDH1A1GAALMNAHPGDKMT2A
SCHEMBL30410222 0.83 ALDH1A1 (0.61) ALDH1A1GAALMNAKMT2AMEN1
SCHEMBL28532931 0.83 ALDH1A1 (0.58) ALDH1A1GAALMNAHPGDKMT2A
SCHEMBL15961236 0.83 SIRT6 (0.59) ALDH1A1GAALMNAKMT2AMEN1
SCHEMBL3313887 0.83 GAA (0.72) ALDH1A1GAALMNAKMT2AMEN1
SCHEMBL2461666 0.83 ALDH1A1 (0.66) ALDH1A1GAALMNAHPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260137703-A1 2-AMINO-PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE AND 7-AMINO-1-PYRIMIDO[4,5-D]PYRIMIDIN-2(1 H)-ONE DERIVATIVES AS EGFR INHIBITORS FOR THE TREATMENT OF CANCER CANCER RESEARCH TECH LIMITED (GB) 2026-05-21 US disclosed
EP-4612148-A1 2-AMINO-PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE AND 7-AMINO-1-PYRIMIDO[4,5-D]PYRIMIDIN-2(1 H)-ONE DERIVATIVES AS EGFR INHIBITORS FOR THE TREATMENT OF CANCER Cancer Research Technology Limited (GB) 2025-09-10 EP disclosed
WO-2024094963-A1 2-AMINO-PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE AND 7-AMINO-1-PYRIMIDO[4,5-D]PYRIMIDIN-2(1 H)-ONE DERIVATIVES AS EGFR INHIBITORS FOR THE TREATMENT OF CANCER CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2024-05-10 WO disclosed
US-8815872-B2 Macrocyclics pyrimidines as aurora kinase inhibitors MERCK PATENT GMBH (DE) 2014-08-26 US disclosed
US-8815872-B2 Macrocyclics pyrimidines as aurora kinase inhibitors MERCK PATENT GMBH (DE) 2014-08-26 US disclosed
US-20110294801-A1 MACROCYCLICS PYRIMIDINES AS AURORA KINASE INHIBITORS MERCK PATENT GMBH (DE) 2011-12-01 US disclosed
US-20110294801-A1 MACROCYCLICS PYRIMIDINES AS AURORA KINASE INHIBITORS MERCK PATENT GMBH (DE) 2011-12-01 US disclosed
WO-2010028116-A1 MACROCYCLICS PYRIMIDINES AS AURORA KINASE INHIBITORS MERCK SERONO S.A. (CH) 2010-03-11 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 (2 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-20260137703-A1 2-AMINO-PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE AND 7-AMINO-1-PYRIMIDO[4,5-D]PYRIMIDIN-2(1 H)-ONE DERIVATIVES AS EGFR INHIBITORS FOR THE TREATMENT OF CANCER EGFR, KRAS, O60361 ALDH1A1 999/4885GAA 4133/4885LMNA 1830/4885
US-20110294801-A1 MACROCYCLICS PYRIMIDINES AS AURORA KINASE INHIBITORS AURKC, AURKA, AURKB ALDH1A1 4424/4885GAA 2546/4885LMNA 2969/4885

“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.