SCHEMBL14718433

SCHEMBL14718433

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

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 2/20 0.51
ALDH1A1 P00352 6/20 0.48
MAPT P10636 7/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTR6 P50406 1/20 0.46
WDR5 P61964 2/20 0.45
LMNA P02545 1/20 0.45
CYP3A4 P08684 1/20 0.43
BLM P54132 1/20 0.43
PMP22 Q01453 1/20 0.43
GAA P10253 1/20 0.43
EGFR P00533 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL18902052 0.88 SIRT6 (0.47) SIRT6ALDH1A1MAPTSMN1; SMN2CYP1A2
SCHEMBL28836526 0.88 ALDH1A1 (0.52) ALDH1A1MAPTSMN1; SMN2LMNAGAA
SCHEMBL14660784 0.86 SIRT6 (0.50) SIRT6ALDH1A1MAPTSMN1; SMN2CYP1A2
SCHEMBL14660788 0.86 SIRT6 (0.50) SIRT6ALDH1A1MAPTSMN1; SMN2CYP1A2
SCHEMBL29974407 0.83 SIRT6 (0.46) SIRT6ALDH1A1MAPTSMN1; SMN2CYP1A2
SCHEMBL16668618 0.83 SIRT6 (0.46) SIRT6ALDH1A1MAPTSMN1; SMN2CYP1A2
SCHEMBL14718669 0.81 KDM4E (0.43) ALDH1A1MAPTSMN1; SMN2HTR6GAA
SCHEMBL14661030 0.78 SIRT6 (0.56) SIRT6ALDH1A1MAPTSMN1; SMN2CYP1A2
SCHEMBL21816656 0.78 SIRT6 (0.51) SIRT6ALDH1A1MAPTSMN1; SMN2CYP1A2
SCHEMBL29226051 0.78 RAB9A (0.43) SMN1; SMN2HTR6WDR5LMNAPOLB

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-20240425476-A1 2-(2,4,5-SUBSTITUTED-ANILINO)PYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2024-12-26 US disclosed
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
EP-4086246-A1 2-(2,4,5-SUBSTITUTED-ANILINO)PYRIMIDINE COMPOUNDS AS EGFR MODULATORS AstraZeneca AB (SE) 2022-11-09 EP 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-10017493-B2 2-(2,4,5-substituted-anilino)pyrimidine compounds ASTRAZENECA AB (SE) 2018-07-10 US disclosed
US-20180162832-A1 2-(2,4,5-SUBSTITUTED-ANILINO)PYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2018-06-14 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
US-20130053409-A1 2-(2,4,5-SUBSTITUTED-ANILINO) PYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2013-02-28 US 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 (9 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 2153/4885MAPT 4309/4885
US-20180162832-A1 2-(2,4,5-SUBSTITUTED-ANILINO)PYRIMIDINE COMPOUNDS EGFR, ERBB2, ERBB3 SIRT6 3423/4885ALDH1A1 2153/4885MAPT 4309/4885
US-20210130318-A1 2-(2,4,5-SUBSTITUTED-ANILINO)PYRIMIDINE COMPOUNDS EGFR, ERBB2, ERBB3 SIRT6 3423/4885ALDH1A1 2153/4885MAPT 4309/4885
US-10017493-B2 2-(2,4,5-substituted-anilino)pyrimidine compounds EGFR, ERBB2, ERBB3 SIRT6 3423/4885ALDH1A1 2153/4885MAPT 4309/4885
US-10858336-B2 2-(2,4,5-substituted-anilino)pyrimidine compounds EGFR, ERBB2, ERBB3 SIRT6 3423/4885ALDH1A1 2153/4885MAPT 4309/4885
US-20240425476-A1 2-(2,4,5-SUBSTITUTED-ANILINO)PYRIMIDINE COMPOUNDS EGFR, ERBB2, ERBB3 SIRT6 3423/4885ALDH1A1 2153/4885MAPT 4309/4885
US-20150119379-A1 2-(2,4,5-SUBSTITUTED-ANILINO)PYRIMIDINE COMPOUNDS EGFR, ERBB2, ERBB3 SIRT6 3423/4885ALDH1A1 2153/4885MAPT 4309/4885
US-11524951-B2 2-(2,4,5-substituted-anilino)pyrimidine compounds EGFR, ERBB2, ERBB3 SIRT6 3423/4885ALDH1A1 2153/4885MAPT 4309/4885
US-20240182441-A1 2-(2,4,5-SUBSTITUTED-ANILINO)PYRIMIDINE COMPOUNDS EGFR, ERBB2, ERBB3 SIRT6 3423/4885ALDH1A1 2153/4885MAPT 4309/4885

“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.