SCHEMBL14660784

SCHEMBL14660784

COc1cc(N2CCN(C)CC2)c([N+](=O)[O-])cc1NC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 2/20 0.50
ALDH1A1 P00352 8/20 0.49
SMN1; SMN2 Q16637 5/20 0.48
LMNA P02545 3/20 0.48
WDR5 P61964 4/20 0.48
MAPT P10636 6/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
GAA P10253 3/20 0.47
MAPK1 P28482 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL14660788 1.00 SIRT6 (0.50) SIRT6ALDH1A1SMN1; SMN2LMNAWDR5
SCHEMBL20680880 0.87 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2LMNAMAPTCYP2C9
SCHEMBL29974407 0.87 SIRT6 (0.46) SIRT6ALDH1A1SMN1; SMN2LMNAWDR5
SCHEMBL16668618 0.87 SIRT6 (0.46) SIRT6ALDH1A1SMN1; SMN2LMNAWDR5
SCHEMBL14718433 0.86 SIRT6 (0.51) SIRT6ALDH1A1SMN1; SMN2LMNAWDR5
SCHEMBL18902052 0.85 SIRT6 (0.47) SIRT6ALDH1A1SMN1; SMN2LMNAWDR5
SCHEMBL14660716 0.82 SIRT6 (0.53) SIRT6ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL21816659 0.81 MEN1 (0.47) ALDH1A1SMN1; SMN2LMNACYP1A2MAPK1
SCHEMBL29929807 0.79 EGFR (0.49) SIRT6ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL13832430 0.78 SIRT6 (0.49) SIRT6ALDH1A1SMN1; SMN2WDR5MAPT

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-20240182441-A1 2-(2,4,5-SUBSTITUTED-ANILINO)PYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2024-06-06 US disclosed
EP-4119551-A1 2-(2,4,5-SUBSTITUTED-ANILINO)PYRIMIDINE COMPOUNDS Astrazeneca AB (SE) 2023-01-18 EP disclosed
US-11524951-B2 2-(2,4,5-substituted-anilino)pyrimidine compounds ASTRAZENECA AB (SE) 2022-12-13 US disclosed
US-20210130318-A1 2-(2,4,5-SUBSTITUTED-ANILINO)PYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2021-05-06 US disclosed
US-10858336-B2 2-(2,4,5-substituted-anilino)pyrimidine compounds ASTAZENECA AB (SE) 2020-12-08 US disclosed
EP-3686194-A1 2-(2,4,5-SUBSTITUTED-ANILINO)PYRIMIDINE COMPOUNDS Astrazeneca AB (SE) 2020-07-29 EP disclosed
EP-3686193-A1 2-(2,4,5-SUBSTITUTED-ANILINO)PYRIMIDINE COMPOUNDS Astrazeneca AB (SE) 2020-07-29 EP disclosed
EP-3333161-B1 2-(2,4,5-SUBSTITUTED-ANILINO)PYRIMIDINE DERIVATIVES AS EGFR MODULATORS USEFUL FOR TREATING CANCER ASTRAZENECA AB (SE) 2020-02-19 EP disclosed
US-20190092746-A1 2-(2,4,5-SUBSTITUTED-ANILINO)PYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2019-03-28 US disclosed
US-10017493-B2 2-(2,4,5-substituted-anilino)pyrimidine compounds ASTRAZENECA AB (SE) 2018-07-10 US disclosed
EP-3333161-A1 2-(2,4,5-SUBSTITUTED-ANILINO)PYRIMIDINE DERIVATIVES AS EGFR MODULATORS USEFUL FOR TREATING CANCER Astrazeneca AB (SE) 2018-06-13 EP disclosed
EP-3009431-B1 2-(2,4,5-SUBSTITUTED-ANILINO)PYRIMIDINE DERIVATIVES AS EGFR MODULATORS USEFUL FOR TREATING CANCER ASTRAZENECA AB (SE) 2017-10-25 EP disclosed
US-9732058-B2 2-(2,4,5-substituted-anilino)pyrimidine compounds ASTRAZENECA AB (SE) 2017-08-15 US disclosed
EP-3009431-A1 2-(2,4,5-SUBSTITUTED-ANILINO)PYRIMIDINE DERIVATIVES AS EGFR MODULATORS USEFUL FOR TREATING CANCER Astrazeneca AB (SE) 2016-04-20 EP disclosed
EP-2736895-B1 2-(2,4,5-SUBSTITUTED-ANILINO) PYRIMIDINE DERIVATIVES AS EGFR MODULATORS USEFUL FOR TREATING CANCER ASTRAZENECA AB (SE) 2016-01-06 EP disclosed
US-20150119379-A1 2-(2,4,5-SUBSTITUTED-ANILINO)PYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2015-04-30 US disclosed
US-8946235-B2 2-(2,4,5-substituted-anilino) pyrimidine compounds ASTRAZENECA AB (SE) 2015-02-03 US disclosed
EP-2736895-A1 2 - (2, 4, 5 - SUBSTITUTED -ANILINO) PYRIMIDINE DERIVATIVES AS EGFR MODULATORS USEFUL FOR TREATING CANCER Astrazeneca AB (SE) 2014-06-04 EP disclosed
US-20130053409-A1 2-(2,4,5-SUBSTITUTED-ANILINO) PYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2013-02-28 US disclosed
WO-2013014448-A1 2 - (2, 4, 5 - SUBSTITUTED -ANILINO) PYRIMIDINE DERIVATIVES AS EGFR MODULATORS USEFUL FOR TREATING CANCER ASTRAZENECA AB (SE) 2013-01-31 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 (8 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-20130053409-A1 2-(2,4,5-SUBSTITUTED-ANILINO) PYRIMIDINE COMPOUNDS EGFR, ERBB2, ERBB3 SIRT6 3423/4885ALDH1A1 2153/4885SMN1; SMN2 2671/4885
US-20190092746-A1 2-(2,4,5-SUBSTITUTED-ANILINO)PYRIMIDINE COMPOUNDS EGFR, ERBB2, ERBB3 SIRT6 3423/4885ALDH1A1 2153/4885SMN1; SMN2 2671/4885
US-20210130318-A1 2-(2,4,5-SUBSTITUTED-ANILINO)PYRIMIDINE COMPOUNDS EGFR, ERBB2, ERBB3 SIRT6 3423/4885ALDH1A1 2153/4885SMN1; SMN2 2671/4885
US-10017493-B2 2-(2,4,5-substituted-anilino)pyrimidine compounds EGFR, ERBB2, ERBB3 SIRT6 3423/4885ALDH1A1 2153/4885SMN1; SMN2 2671/4885
US-10858336-B2 2-(2,4,5-substituted-anilino)pyrimidine compounds EGFR, ERBB2, ERBB3 SIRT6 3423/4885ALDH1A1 2153/4885SMN1; SMN2 2671/4885
US-20150119379-A1 2-(2,4,5-SUBSTITUTED-ANILINO)PYRIMIDINE COMPOUNDS EGFR, ERBB2, ERBB3 SIRT6 3423/4885ALDH1A1 2153/4885SMN1; SMN2 2671/4885
US-11524951-B2 2-(2,4,5-substituted-anilino)pyrimidine compounds EGFR, ERBB2, ERBB3 SIRT6 3423/4885ALDH1A1 2153/4885SMN1; SMN2 2671/4885
US-20240182441-A1 2-(2,4,5-SUBSTITUTED-ANILINO)PYRIMIDINE COMPOUNDS EGFR, ERBB2, ERBB3 SIRT6 3423/4885ALDH1A1 2153/4885SMN1; SMN2 2671/4885

“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.