SCHEMBL2165638

SCHEMBL2165638

COc1cc2c(Nc3ccc(F)c(C(F)(F)F)c3)nnnc2cc1OCCCCl

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGFR P00533 18/20 0.51
EPHA2 P29317 1/20 0.50
ERBB2 P04626 2/20 0.49
EPHB4 P54760 2/20 0.47
AURKA O14965 1/20 0.47
INSR P06213 1/20 0.47
FBP1 P09467 1/20 0.47
PDGFRB P09619 1/20 0.47
FLT4 P35916 1/20 0.47
KDR P35968 1/20 0.47
CLK1 P49759 1/20 0.47
TEK Q02763 1/20 0.47
AURKB Q96GD4 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 0.93 EGFR (0.55) EGFREPHA2ERBB2EPHB4KDR
SCHEMBL2165522 0.92 EGFR (0.59) EGFREPHA2ERBB2EPHB4KDR
SCHEMBL2163909 0.89 EGFR (0.52) EGFREPHA2ERBB2EPHB4AURKA
SCHEMBL2164234 0.87 EGFR (0.66) EGFRERBB2EPHB4AURKAINSR
SCHEMBL2163634 0.86 EGFR (0.51) EGFREPHA2ERBB2EPHB4AURKA
Hydrochloric Acid SCHEMBL2164081 0.85 EGFR (0.62) EGFREPHA2ERBB2EPHB4FLT4
SCHEMBL2164529 0.85 EGFR (0.58) EGFRKDR
SCHEMBL2163820 0.85 EGFR (0.51) EGFRERBB2KDR
Hydrochloric Acid SCHEMBL2165383 0.84 EGFR (0.63) EGFREPHA2ERBB2EPHB4FLT4
SCHEMBL2163495 0.84 KDR (0.59) EGFRKDR

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 625/4885ERBB2 11/4885

“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.