SCHEMBL17831508

SCHEMBL17831508

COc1ccc([N+](=O)[O-])cc1Nc1nccc(-c2c[nH]c3ccccc23)n1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 3/20 0.65
MKNK1 Q9BUB5 2/20 0.65
MKNK2 Q9HBH9 2/20 0.65
CCNB2 O95067 3/20 0.56
CDK1 P06493 3/20 0.56
CCNB1 P14635 3/20 0.56
CCNB3 Q8WWL7 3/20 0.56
EGFR P00533 4/20 0.54
KCNH2 Q12809 2/20 0.54
IGF1R P08069 4/20 0.54
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
CLK1 P49759 1/20 0.50
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
RET P07949 3/20 0.48
ELANE P08246 1/20 0.48
EIF2AK2 P19525 1/20 0.46
ABL1 P00519 1/20 0.46

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
SCHEMBL17553703 0.89 CCNB2 (0.69) FLT3MKNK1MKNK2CCNB2CDK1
SCHEMBL29973816 0.85 FLT3 (0.65) FLT3MKNK1MKNK2CCNB2CDK1
SCHEMBL14663441 0.85 FLT3 (0.65) FLT3MKNK1MKNK2CCNB2CDK1
SCHEMBL28378828 0.81 MKNK1 (0.66) FLT3MKNK1MKNK2EGFRKCNH2
SCHEMBL4513070 0.81 ABL1 (0.64) FLT3MKNK1MKNK2CCNB2CDK1
SCHEMBL30378140 0.80 EGFR (0.71) FLT3MKNK1MKNK2EGFRKCNH2
SCHEMBL30120921 0.80 EGFR (0.71) FLT3MKNK1MKNK2EGFRKCNH2
SCHEMBL14663465 0.80 EGFR (0.71) FLT3MKNK1MKNK2EGFRKCNH2
SCHEMBL17831509 0.80 EGFR (0.61) FLT3MKNK1MKNK2CCNB2CDK1
SCHEMBL17831600 0.80 MKNK1 (0.74) FLT3MKNK1MKNK2CCNB2CDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170362203-A1 SUBSTITUTED 2-ANILINOPYRIMIDINE DERIVATIVES AS EGFR MODULATORS BETA PHARMA, INC. (US) 2017-12-21 US disclosed
US-20170362203-A1 SUBSTITUTED 2-ANILINOPYRIMIDINE DERIVATIVES AS EGFR MODULATORS BETA PHARMA, INC. (US) 2017-12-21 US 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 (1 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-20170362203-A1 SUBSTITUTED 2-ANILINOPYRIMIDINE DERIVATIVES AS EGFR MODULATORS EGFR, ERBB2, ERBB4 FLT3 25/4885MKNK1 1174/4885MKNK2 1100/4885

“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.