SCHEMBL1969786

SCHEMBL1969786

CN1CCN(c2ccc([N+](=O)[O-])cc2C=O)CC1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.71
MCL1 Q07820 2/20 0.56
POLB P06746 2/20 0.56
MAPT P10636 1/20 0.56
LMNA P02545 4/20 0.55
GAA P10253 2/20 0.55
SIRT6 Q8N6T7 1/20 0.55
KMT2A Q03164 3/20 0.53
HTT P42858 2/20 0.53
CYP1A2 P05177 2/20 0.53
CYP3A4 P08684 2/20 0.53
CYP2C19 P33261 2/20 0.53
MEN1 O00255 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.52
WDR5 P61964 4/20 0.52
KDM4E B2RXH2 1/20 0.51

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
SCHEMBL28775961 0.89 ALDH1A1 (0.56) ALDH1A1MCL1POLBMAPTLMNA
SCHEMBL12005301 0.87 ALDH1A1 (0.55) ALDH1A1MCL1POLBMAPTLMNA
SCHEMBL30879347 0.87 ALDH1A1 (0.55) ALDH1A1MCL1POLBMAPTLMNA
SCHEMBL28032257 0.87 ALDH1A1 (0.76) ALDH1A1POLBMAPTLMNAGAA
SCHEMBL16824845 0.85 ALDH1A1 (0.74) ALDH1A1POLBMAPTLMNAGAA
SCHEMBL6257607 0.85 ALDH1A1 (0.74) ALDH1A1POLBMAPTLMNAGAA
SCHEMBL16824862 0.85 ALDH1A1 (0.66) ALDH1A1MCL1POLBMAPTLMNA
SCHEMBL16824854 0.85 MAPT (0.67) ALDH1A1MAPTLMNAGAAKMT2A
SCHEMBL16824985 0.84 ALDH1A1 (0.69) ALDH1A1MCL1POLBMAPTLMNA
SCHEMBL16824993 0.84 LMNA (0.67) ALDH1A1MCL1POLBMAPTLMNA

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 21 patents — showing the first 20. 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
EP-4610262-A1 MACROCYCLIC COMPOUND AS CDK9 INHIBITOR AND USE THEREOF Artivila Biopharma (CN) 2025-09-03 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
CN-115838375-A Pyrimido-dihydro-pyrazolone derivative, pharmaceutically acceptable salt thereof, and preparation method and application thereof 优领医药科技(香港)有限公司 2023-03-24 CN disclosed
CN-106415244-B Reactive marker compounds and uses thereof 中央研究院 2020-04-24 CN disclosed
US-10119972-B2 Reactive labelling compounds and uses thereof ACADEMIA SINICA (TW) 2018-11-06 US disclosed
EP-2334301-B1 MACROCYCLICS PYRIMIDINES AS AURORA KINASE INHIBITORS MERCK SERONO SA (CH) 2018-02-14 EP disclosed
US-20180011104-A1 REACTIVE LABELLING COMPOUNDS AND USES THEREOF ACADEMIA SINICA (TW) 2018-01-11 US disclosed
US-9759726-B2 Reactive labelling compounds and uses thereof ACADEMIA SINICA (TW) 2017-09-12 US disclosed
WO-2015148915-A9 REACTIVE LABELLING COMPOUNDS AND USES THEREOF ACADEMIA SINICA (TW) 2016-12-22 WO disclosed
US-20150309041-A1 REACTIVE LABELLING COMPOUNDS AND USES THEREOF ACADEMIA SINICA (TW) 2015-10-29 US disclosed
WO-2015148915-A1 REACTIVE LABELLING COMPOUNDS AND USES THEREOF ACADEMIA SINICA (TW) 2015-10-01 WO 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
CN-102143750-A Macrocyclics pyrimidines as aurora kinase inhibitors MERCK PATENT GMBH 2011-08-03 CN disclosed
EP-2334301-A1 MACROCYCLICS PYRIMIDINES AS AURORA KINASE INHIBITORS Merck Serono SA (CH) 2011-06-22 EP disclosed
WO-2010028116-A1 MACROCYCLICS PYRIMIDINES AS AURORA KINASE INHIBITORS MERCK SERONO S.A. (CH) 2010-03-11 WO disclosed
WO-2008140419-A2 PYRIDYL SUBSTITUTED PYRIMIDINE DERIVATIVES S*BIO PTE LTD (SG) 2008-11-20 WO disclosed
WO-2008140419-A2 PYRIDYL SUBSTITUTED PYRIMIDINE DERIVATIVES S*BIO PTE LTD (SG) 2008-11-20 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 (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-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 999/4885MCL1 282/4885POLB 458/4885
US-20150309041-A1 REACTIVE LABELLING COMPOUNDS AND USES THEREOF MPI, AADAC, PAICS ALDH1A1 364/4885MCL1 1284/4885POLB 3628/4885
US-20180011104-A1 REACTIVE LABELLING COMPOUNDS AND USES THEREOF MPI, AADAC, PAICS ALDH1A1 273/4885MCL1 1149/4885POLB 3725/4885
US-10119972-B2 Reactive labelling compounds and uses thereof MPI, AADAC, PAICS ALDH1A1 273/4885MCL1 1149/4885POLB 3725/4885
US-20110294801-A1 MACROCYCLICS PYRIMIDINES AS AURORA KINASE INHIBITORS AURKC, AURKA, AURKB ALDH1A1 4424/4885MCL1 415/4885POLB 515/4885

“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.