SCHEMBL1969337

SCHEMBL1969337

CN1CCN(c2ccc([N+](=O)[O-])cc2N)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 2/20 0.58
ALDH1A1 P00352 9/20 0.57
LMNA P02545 3/20 0.57
GAA P10253 2/20 0.57
POLB P06746 3/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
KMT2A Q03164 5/20 0.55
HTT P42858 2/20 0.55
CYP1A2 P05177 2/20 0.55
CYP3A4 P08684 2/20 0.55
CYP2C19 P33261 2/20 0.55
MEN1 O00255 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
KDM4E B2RXH2 2/20 0.55
HSD17B10 Q99714 1/20 0.55
WDR5 P61964 5/20 0.55
SMN1; SMN2 Q16637 1/20 0.54
APEX1 P27695 1/20 0.54
CASP6 P55212 1/20 0.54

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
SCHEMBL839543 0.86 GAA (0.67) ALDH1A1LMNAGAAPOLBKMT2A
SCHEMBL23043630 0.84 GAA (0.69) ALDH1A1LMNAGAAPOLBKMT2A
SCHEMBL29979387 0.84 GAA (0.69) ALDH1A1LMNAGAAPOLBKMT2A
SCHEMBL398803 0.83 ALDH1A1 (0.61) SIRT6ALDH1A1LMNAGAAPOLB
SCHEMBL3313887 0.83 GAA (0.72) SIRT6ALDH1A1LMNAGAAPOLB
SCHEMBL15961236 0.83 SIRT6 (0.59) SIRT6ALDH1A1LMNAGAAPOLB
SCHEMBL2461666 0.83 ALDH1A1 (0.66) SIRT6ALDH1A1LMNAGAAKMT2A
SCHEMBL30410222 0.83 ALDH1A1 (0.61) SIRT6ALDH1A1LMNAGAAPOLB
SCHEMBL30464734 0.83 ALDH1A1 (0.66) SIRT6ALDH1A1LMNAGAAKMT2A
SCHEMBL9404875 0.82 POLB (0.51) ALDH1A1LMNAGAAPOLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4612149-A1 PYRIDO[2,3-D]PYRIMIDIN-2-AMINE DERIVATIVES AS EGFR INHIBITORS FOR THE TREATMENT OF CANCER Cancer Research Technology Limited (GB) 2025-09-10 EP disclosed
WO-2024094962-A1 PYRIDO[2,3-D]PYRIMIDIN-2-AMINE DERIVATIVES AS EGFR INHIBITORS FOR THE TREATMENT OF CANCER CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2024-05-10 WO disclosed
CN-109734674-B Aniline WDR5 protein-protein interaction inhibitor and preparation method and application thereof 中国药科大学 2022-08-26 CN disclosed
CN-110746424-A MK2 inhibitors and uses thereof 西建卡尔有限责任公司 2020-02-04 CN disclosed
CN-109734674-A Phenyl amines WDR5 protein-protein interaction inhibitor and its preparation method and purposes 中国药科大学 2019-05-10 CN disclosed
US-20190135835-A1 MK2 INHIBITORS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2019-05-09 US disclosed
US-10138256-B2 MK2 inhibitors and uses thereof CELGENE CAR LLC (BM) 2018-11-27 US disclosed
EP-2334301-B1 MACROCYCLICS PYRIMIDINES AS AURORA KINASE INHIBITORS MERCK SERONO SA (CH) 2018-02-14 EP disclosed
EP-2968339-A1 MK2 INHIBITORS AND USES THEREOF Celgene Avilomics Research, Inc. (US) 2016-01-20 EP disclosed
US-20150376208-A1 MK2 INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2015-12-31 US disclosed
US-20150376208-A1 MK2 INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2015-12-31 US disclosed
US-20150376208-A1 MK2 INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2015-12-31 US disclosed
CN-105163738-A MK2 inhibitors and uses thereof CELGENE AVILOMICS RES INC 2015-12-16 CN disclosed
WO-2014149164-A1 MK2 INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2014-09-25 WO disclosed
US-8815872-B2 Macrocyclics pyrimidines as aurora kinase inhibitors MERCK PATENT GMBH (DE) 2014-08-26 US disclosed
CN-102143750-B Macrocyclics pyrimidines as aurora kinase inhibitors MERCK PATENT GMBH 2014-04-02 CN 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20150376208-A1 MK2 INHIBITORS AND USES THEREOF MKNK2, DUSP2, MKNK1 SIRT6 1320/4885ALDH1A1 4078/4885LMNA 4652/4885
US-10138256-B2 MK2 inhibitors and uses thereof MKNK2, DUSP2, MKNK1 SIRT6 1320/4885ALDH1A1 4078/4885LMNA 4652/4885
US-20110294801-A1 MACROCYCLICS PYRIMIDINES AS AURORA KINASE INHIBITORS AURKC, AURKA, AURKB SIRT6 2185/4885ALDH1A1 4424/4885LMNA 2969/4885
US-20190135835-A1 MK2 INHIBITORS AND USES THEREOF MKNK2, DUSP2, MKNK1 SIRT6 1320/4885ALDH1A1 4078/4885LMNA 4652/4885

“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.