SCHEMBL2165630

SCHEMBL2165630

CCCCCOc1cc2nnnc(Nc3ccc(C(F)(F)F)cc3)c2cc1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 8/20 0.53
KDR P35968 10/20 0.52
ABCG2 Q9UNQ0 1/20 0.48
SRC P12931 1/20 0.48
MEN1 O00255 1/20 0.48
RAB9A P51151 1/20 0.48
KMT2A Q03164 1/20 0.48
CTDSP1 Q9GZU7 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
HDAC3 O15379 7/20 0.47
HDAC4 P56524 7/20 0.47
HDAC1 Q13547 7/20 0.47
HDAC7 Q8WUI4 7/20 0.47
HDAC2 Q92769 7/20 0.47
HDAC10 Q969S8 7/20 0.47
HDAC11 Q96DB2 7/20 0.47
HDAC8 Q9BY41 7/20 0.47
HDAC6 Q9UBN7 7/20 0.47
HDAC9 Q9UKV0 7/20 0.47
HDAC5 Q9UQL6 7/20 0.47

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
SCHEMBL2163719 0.97 EGFR (0.53) EGFRKDRABCG2SRCMEN1
SCHEMBL2163634 0.91 EGFR (0.51) EGFRKDRABCG2MEN1RAB9A
SCHEMBL2165634 0.90 EGFR (0.54) EGFRKDRABCG2SRCMEN1
SCHEMBL2165632 0.89 EGFR (0.64) EGFRKDRABCG2SRCHDAC3
SCHEMBL2163505 0.89 EGFR (0.60) EGFRKDRSRCHDAC3HDAC4
SCHEMBL2163498 0.88 EGFR (0.52) EGFRKDRSRCHDAC3HDAC4
SCHEMBL2165852 0.88 EGFR (0.54) EGFRKDRSRCHDAC3HDAC4
SCHEMBL2165623 0.87 EGFR (0.61) EGFRKDRSRCHDAC3HDAC4
SCHEMBL2165522 0.87 EGFR (0.59) EGFRKDRHDAC3HDAC4HDAC1
SCHEMBL2164310 0.86 EGFR (0.58) EGFRKDRSRCHDAC3HDAC4

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 8/4885KDR 1/4885ABCG2 79/4885

“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.