SCHEMBL14663350

SCHEMBL14663350

COc1cc(N2CCN(C)CC2)c(Nc2nccc(-c3c[nH]c4ccccc34)n2)cc1N

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 9/20 0.72
▸ IGF1R P08069 6/20 0.72
▸ KCNH2 Q12809 2/20 0.72
▸ FLT3 P36888 5/20 0.59
▸ MKNK1 Q9BUB5 2/20 0.59
▸ MKNK2 Q9HBH9 2/20 0.59
▸ DYRK1B Q9Y463 5/20 0.59
▸ CDK2 P24941 5/20 0.59
▸ TTK P33981 1/20 0.53
▸ CDK1 P06493 2/20 0.49
▸ CCNB1 P14635 2/20 0.49
▸ CCNB2 O95067 1/20 0.49
▸ CCNB3 Q8WWL7 1/20 0.49
▸ CCNE1 P24864 1/20 0.49
▸ CDK7 P50613 1/20 0.49
▸ CCNH P51946 1/20 0.49
▸ MNAT1 P51948 1/20 0.49

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
SCHEMBL30998031 1.00 EGFR (0.72) EGFRIGF1RKCNH2FLT3MKNK1
SCHEMBL14719022 0.93 EGFR (0.74) EGFRIGF1RKCNH2FLT3MKNK1
SCHEMBL23294110 0.85 EGFR (0.61) EGFRIGF1RKCNH2DYRK1BCDK2
SCHEMBL17831600 0.85 MKNK1 (0.74) EGFRIGF1RKCNH2FLT3MKNK1
SCHEMBL14663454 0.85 EGFR (0.72) EGFRIGF1RKCNH2DYRK1BCDK2
SCHEMBL30956854 0.85 EGFR (0.62) EGFRIGF1RKCNH2FLT3MKNK1
SCHEMBL28463316 0.85 EGFR (0.62) EGFRIGF1RKCNH2FLT3MKNK1
SCHEMBL31367926 0.84 EGFR (0.72) EGFRIGF1RKCNH2FLT3MKNK1
SCHEMBL14719016 0.84 EGFR (0.72) EGFRIGF1RKCNH2FLT3MKNK1
SCHEMBL14717958 0.84 EGFR (1.00) EGFRIGF1RKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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 (2 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-20210130318-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

“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.

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