SCHEMBL2163737

SCHEMBL2163737

CCCCCOc1cc2nnnc(Nc3cccc(Br)c3)c2cc1OC

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 11/20 0.66
FBP1 P09467 4/20 0.64
KDR P35968 5/20 0.62
ERBB2 P04626 4/20 0.62
ABCG2 Q9UNQ0 2/20 0.62
KDM4E B2RXH2 1/20 0.62
GAK O14976 1/20 0.62
MAPK13 O15264 1/20 0.62
ABL1 P00519 1/20 0.62
CYP1A2 P05177 1/20 0.62
CDK1 P06493 1/20 0.62
CYP3A4 P08684 1/20 0.62
CYP2D6 P10635 1/20 0.62
MAPT P10636 1/20 0.62
CYP2C9 P11712 1/20 0.62
SRC P12931 1/20 0.62
TSHR P16473 1/20 0.62
MAPK1 P28482 1/20 0.62
EPHB2 P29323 1/20 0.62
CYP2C19 P33261 1/20 0.62

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
SCHEMBL2163512 0.97 EGFR (0.70) EGFRFBP1KDRERBB2ABCG2
SCHEMBL2163635 0.91 FBP1 (0.63) EGFRFBP1KDRERBB2ABCG2
SCHEMBL2164101 0.90 FBP1 (0.67) EGFRFBP1KDRERBB2ABCG2
SCHEMBL2164310 0.89 EGFR (0.58) EGFRFBP1KDRSRCEPHB2
SCHEMBL2164536 0.88 EGFR (0.62) EGFRFBP1KDRERBB2KDM4E
SCHEMBL5742396 0.88 EGFR (0.86) EGFRFBP1KDRERBB2ABCG2
SCHEMBL2165632 0.85 EGFR (0.64) EGFRFBP1KDRERBB2ABCG2
SCHEMBL2163640 0.85 EGFR (0.59) EGFRFBP1KDRSRCEPHB2
SCHEMBL2163884 0.85 EGFR (0.63) EGFRFBP1KDRERBB2KDM4E
SCHEMBL2163535 0.84 EGFR (0.58) EGFRKDRERBB2HDAC3HDAC4

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 8/4885FBP1 3619/4885KDR 1/4885

“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.