SCHEMBL2165522

SCHEMBL2165522

CCCCCOc1cc2nnnc(Nc3ccc(F)c(C(F)(F)F)c3)c2cc1OC

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGFR P00533 18/20 0.59
EPHA2 P29317 1/20 0.51
EPHB4 P54760 1/20 0.49
ERBB2 P04626 2/20 0.49
KDR P35968 1/20 0.48
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 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
SCHEMBL2164193 0.97 EGFR (0.55) EGFREPHA2EPHB4ERBB2KDR
SCHEMBL2165638 0.92 EGFR (0.51) EGFREPHA2EPHB4ERBB2KDR
SCHEMBL2163909 0.91 EGFR (0.52) EGFREPHA2EPHB4ERBB2KDR
SCHEMBL2163102 0.87 EGFR (0.78) EGFREPHB4ERBB2KDRHDAC3
SCHEMBL2165630 0.87 EGFR (0.53) EGFREPHA2EPHB4ERBB2KDR
SCHEMBL2163505 0.85 EGFR (0.60) EGFRKDRHDAC3HDAC4HDAC1
SCHEMBL2163535 0.85 EGFR (0.58) EGFRERBB2KDRHDAC3HDAC4
Hydrochloric Acid SCHEMBL2164081 0.85 EGFR (0.62) EGFREPHA2EPHB4ERBB2KDR
SCHEMBL2165632 0.84 EGFR (0.64) EGFRERBB2KDRHDAC3HDAC4
SCHEMBL2164519 0.84 EGFR (0.73) EGFREPHB4ERBB2KDR

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 8/4885EPHA2 625/4885EPHB4 934/4885

“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.