SCHEMBL2165632

SCHEMBL2165632

CCCCCOc1cc2nnnc(Nc3cccc(C(F)(F)F)c3)c2cc1OC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 10/20 0.64
ABCG2 Q9UNQ0 3/20 0.64
CA2 P00918 1/20 0.54
CA9 Q16790 1/20 0.54
BRAF P15056 1/20 0.49
ERBB2 P04626 1/20 0.48
KDR P35968 4/20 0.47
FGFR1 P11362 1/20 0.47
FLT1 P17948 1/20 0.47
FBP1 P09467 1/20 0.47
SRC P12931 1/20 0.46
HDAC3 O15379 3/20 0.46
HDAC4 P56524 3/20 0.46
HDAC1 Q13547 3/20 0.46
HDAC7 Q8WUI4 3/20 0.46
HDAC2 Q92769 3/20 0.46
HDAC10 Q969S8 3/20 0.46
HDAC11 Q96DB2 3/20 0.46
HDAC8 Q9BY41 3/20 0.46
HDAC6 Q9UBN7 3/20 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
SCHEMBL2164569 0.97 EGFR (0.65) EGFRABCG2CA2CA9BRAF
SCHEMBL2164433 0.91 EGFR (0.62) EGFRABCG2CA2CA9BRAF
SCHEMBL2164600 0.90 EGFR (0.66) EGFRABCG2CA2CA9BRAF
SCHEMBL2165630 0.89 EGFR (0.53) EGFRABCG2ERBB2KDRSRC
SCHEMBL2165526 0.87 PIM1 (0.55) EGFRABCG2KDRFGFR1FLT1
SCHEMBL2163719 0.86 EGFR (0.53) EGFRABCG2KDRSRCHDAC3
SCHEMBL2164310 0.86 EGFR (0.58) EGFRKDRFGFR1FLT1FBP1
SCHEMBL2164536 0.85 EGFR (0.62) EGFRERBB2KDRFGFR1FLT1
SCHEMBL2163737 0.85 EGFR (0.66) EGFRABCG2ERBB2KDRFBP1
Hydrochloric Acid SCHEMBL2164201 0.84 EGFR (0.55) EGFRABCG2BRAFKDRFGFR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8349835-B2 Aromatic ring fused triazine derivatives and uses thereof SHENYANG PHARMACEUTICAL UNIVERSITY (CN) 2013-01-08 US claimed
US-20110183972-A1 AROMATIC RING FUSED TRIAZINE DERIVATIVES AND USES THEREOF SHENYANG PHARMACEUTICAL UNIVERSITY (CN) 2011-07-28 US claimed
EP-2251332-A1 THE AROMATIC RING TRIAZINE DERIVATIVES AND THE USES THEREOF Shenyang Pharmaceutical University (CN) 2010-11-17 EP claimed
US-8349835-B2 Aromatic ring fused triazine derivatives and uses thereof SHENYANG PHARMACEUTICAL UNIVERSITY (CN) 2013-01-08 US disclosed
US-20110183972-A1 AROMATIC RING FUSED TRIAZINE DERIVATIVES AND USES THEREOF SHENYANG PHARMACEUTICAL UNIVERSITY (CN) 2011-07-28 US disclosed
EP-2251332-A1 THE AROMATIC RING TRIAZINE DERIVATIVES AND THE USES THEREOF Shenyang Pharmaceutical University (CN) 2010-11-17 EP 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-20110183972-A1 AROMATIC RING FUSED TRIAZINE DERIVATIVES AND USES THEREOF KDR, FLT1, FLT4 EGFR 8/4885ABCG2 79/4885CA2 1293/4885

“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.