SCHEMBL14718523

SCHEMBL14718523

COc1cc(N2CCN(C)CC2)c([N+](=O)[O-])cc1Nc1ncc(C)c(-c2c[nH]c3ccccc23)n1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 10/20 0.61
▸ IGF1R P08069 2/20 0.55
▸ KCNH2 Q12809 1/20 0.55
▸ JAK1 P23458 4/20 0.49
▸ JAK2 O60674 4/20 0.49
▸ ALK Q9UM73 1/20 0.49
▸ TNK2 Q07912 2/20 0.46
▸ CDK2 P24941 1/20 0.44
▸ DYRK1B Q9Y463 1/20 0.44
▸ JUN P05412 1/20 0.44
▸ MAPK8 P45983 1/20 0.44
▸ MAPK9 P45984 1/20 0.44
▸ MAPK10 P53779 1/20 0.44

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
SCHEMBL14663348 0.92 EGFR (0.72) EGFRIGF1RKCNH2ALKCDK2
SCHEMBL14663383 0.87 EGFR (0.63) EGFRIGF1RKCNH2JAK1JAK2
SCHEMBL29974991 0.87 EGFR (0.63) EGFRIGF1RKCNH2JAK1JAK2
SCHEMBL14663339 0.87 EGFR (0.72) EGFRIGF1RKCNH2CDK2DYRK1B
SCHEMBL14663365 0.86 EGFR (0.58) EGFRKCNH2
SCHEMBL23294110 0.84 EGFR (0.61) EGFRIGF1RKCNH2JAK1JAK2
SCHEMBL31367938 0.83 EGFR (0.86) EGFRIGF1RKCNH2ALKCDK2
SCHEMBL14718920 0.83 EGFR (0.86) EGFRIGF1RKCNH2ALKCDK2
SCHEMBL517589 0.83 EGFR (0.69) EGFRIGF1RKCNH2JAK1JAK2
SCHEMBL28900516 0.81 EGFR (0.75) EGFRIGF1RKCNH2ALKCDK2

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 EGFR 1/4885IGF1R 253/4885KCNH2 2959/4885
US-20180162832-A1 2-(2,4,5-SUBSTITUTED-ANILINO)PYRIMIDINE COMPOUNDS EGFR, ERBB2, ERBB3 EGFR 1/4885IGF1R 253/4885KCNH2 2959/4885
US-20210130318-A1 2-(2,4,5-SUBSTITUTED-ANILINO)PYRIMIDINE COMPOUNDS EGFR, ERBB2, ERBB3 EGFR 1/4885IGF1R 253/4885KCNH2 2959/4885
US-10017493-B2 2-(2,4,5-substituted-anilino)pyrimidine compounds EGFR, ERBB2, ERBB3 EGFR 1/4885IGF1R 253/4885KCNH2 2959/4885
US-10858336-B2 2-(2,4,5-substituted-anilino)pyrimidine compounds EGFR, ERBB2, ERBB3 EGFR 1/4885IGF1R 253/4885KCNH2 2959/4885
US-20240425476-A1 2-(2,4,5-SUBSTITUTED-ANILINO)PYRIMIDINE COMPOUNDS EGFR, ERBB2, ERBB3 EGFR 1/4885IGF1R 253/4885KCNH2 2959/4885
US-20150119379-A1 2-(2,4,5-SUBSTITUTED-ANILINO)PYRIMIDINE COMPOUNDS EGFR, ERBB2, ERBB3 EGFR 1/4885IGF1R 253/4885KCNH2 2959/4885
US-11524951-B2 2-(2,4,5-substituted-anilino)pyrimidine compounds EGFR, ERBB2, ERBB3 EGFR 1/4885IGF1R 253/4885KCNH2 2959/4885
US-20240182441-A1 2-(2,4,5-SUBSTITUTED-ANILINO)PYRIMIDINE COMPOUNDS EGFR, ERBB2, ERBB3 EGFR 1/4885IGF1R 253/4885KCNH2 2959/4885

“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.

Send feedback