Sugi Predict

Sugi Predict / Compounds / SCHEMBL17822329

SCHEMBL17822329

SCHEMBL17822329

COc1cc(OC)c(Nc2nccc(-c3cn(C)c4ccccc34)n2)cc1N

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MKNK2 Q9HBH9 5/20 0.74
▸ MKNK1 Q9BUB5 4/20 0.74
▸ EGFR P00533 14/20 0.66
▸ HDAC1 Q13547 3/20 0.58
▸ HDAC3 O15379 2/20 0.58
▸ HDAC4 P56524 2/20 0.58
▸ HDAC7 Q8WUI4 2/20 0.58
▸ HDAC2 Q92769 2/20 0.58
▸ HDAC10 Q969S8 2/20 0.58
▸ HDAC11 Q96DB2 2/20 0.58
▸ HDAC8 Q9BY41 2/20 0.58
▸ HDAC6 Q9UBN7 2/20 0.58
▸ HDAC9 Q9UKV0 2/20 0.58
▸ HDAC5 Q9UQL6 2/20 0.58
▸ MLNR O43193 1/20 0.57
▸ KDM1A O60341 1/20 0.57
▸ ABCB11 O95342 1/20 0.57
▸ ERBB2 P04626 1/20 0.57
▸ INSR P06213 1/20 0.57
▸ CHRM2 P08172 1/20 0.57

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
SCHEMBL29525375 1.00 MKNK2 (0.74) MKNK2MKNK1EGFRHDAC1HDAC3
SCHEMBL18870128 0.95 MKNK2 (0.75) MKNK2MKNK1EGFRHDAC1HDAC3
SCHEMBL19336993 0.92 MKNK2 (0.66) MKNK2MKNK1EGFRHDAC1HDAC3
SCHEMBL30219237 0.92 MKNK2 (0.70) MKNK2MKNK1EGFRHDAC1HDAC3
SCHEMBL29555776 0.92 MKNK2 (0.70) MKNK2MKNK1EGFRHDAC1HDAC3
SCHEMBL19209723 0.92 MKNK2 (0.73) MKNK2MKNK1EGFRHDAC1HDAC3
SCHEMBL31366682 0.92 MKNK2 (0.70) MKNK2MKNK1EGFRHDAC1HDAC3
SCHEMBL14661053 0.92 MKNK2 (0.70) MKNK2MKNK1EGFRHDAC1HDAC3
SCHEMBL21729615 0.92 MKNK2 (0.70) MKNK2MKNK1EGFRHDAC1HDAC3
SCHEMBL19337168 0.90 MKNK2 (0.64) MKNK2MKNK1EGFRHDAC1HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112684026-B Method for detecting purity of oxitinib intermediate 中山奕安泰医药科技有限公司 2022-05-17 — — CN disclosed
CN-112684026-A Method for detecting purity of oxitinib intermediate 中山奕安泰医药科技有限公司 2021-04-20 — — CN disclosed
US-20200216421-A1 SUBSTITUTED 2-ANILINOPYRIMIDINE DERIVATIVES AS EGFR MODULATORS BETA PHARMA, INC. (US) 2020-07-09 — — US disclosed
US-10590111-B2 Substituted 2-anilinopyrimidine derivatives as EGFR modulators BETA PHARMA, INC. (US) 2020-03-17 — — US disclosed
US-20170362203-A1 SUBSTITUTED 2-ANILINOPYRIMIDINE DERIVATIVES AS EGFR MODULATORS BETA PHARMA, INC. (US) 2017-12-21 — — US disclosed
EP-3229798-A2 SUBSTITUTED 2-ANILINOPYRIMIDINE DERIVATIVES AS EGFR MODULATORS Beta Pharma, Inc. (US) 2017-10-18 — — EP disclosed
WO-2016094821-A2 SUBSTITUTED 2-ANILINOPYRIMIDINE DERIVATIVES AS EGFR MODULATORS BETA PHARMA, INC. (US) 2016-06-16 — — 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 (3 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-10590111-B2 Substituted 2-anilinopyrimidine derivatives as EGFR modulators EGFR, ERBB2, ERBB4 MKNK2 1100/4885MKNK1 1174/4885EGFR 1/4885
US-20200216421-A1 SUBSTITUTED 2-ANILINOPYRIMIDINE DERIVATIVES AS EGFR MODULATORS EGFR, ERBB2, ERBB4 MKNK2 1100/4885MKNK1 1174/4885EGFR 1/4885
US-20170362203-A1 SUBSTITUTED 2-ANILINOPYRIMIDINE DERIVATIVES AS EGFR MODULATORS EGFR, ERBB2, ERBB4 MKNK2 1100/4885MKNK1 1174/4885EGFR 1/4885

“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.