SCHEMBL2165576

SCHEMBL2165576

COc1cc2c(Nc3cccc(OC(F)(F)F)c3)nnnc2cc1OCCCCl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 7/20 0.57
KDR P35968 5/20 0.49
SRC P12931 3/20 0.49
RET P07949 1/20 0.49
EGFR P00533 5/20 0.46
ABCG2 Q9UNQ0 2/20 0.46
FLT1 P17948 2/20 0.45
FBP1 P09467 2/20 0.45
FGFR1 P11362 1/20 0.45
HDAC3 O15379 2/20 0.44
HDAC4 P56524 2/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC7 Q8WUI4 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC10 Q969S8 2/20 0.44
HDAC11 Q96DB2 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HDAC9 Q9UKV0 2/20 0.44
HDAC5 Q9UQL6 2/20 0.44

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
SCHEMBL2163065 0.94 PIM1 (0.56) PIM1KDRSRCRETEGFR
SCHEMBL2165526 0.93 PIM1 (0.55) PIM1KDRSRCRETEGFR
SCHEMBL2163467 0.90 PIM1 (0.56) PIM1KDRSRCRETEGFR
SCHEMBL2163903 0.90 EGFR (0.46) PIM1KDRSRCEGFRFLT1
SCHEMBL2164433 0.88 EGFR (0.62) KDRSRCEGFRABCG2FLT1
Hydrochloric Acid SCHEMBL2163165 0.86 KDR (0.56) PIM1KDRSRCRETEGFR
SCHEMBL2165596 0.85 EGFR (0.61) KDRSRCEGFRFLT1FBP1
Hydrochloric Acid SCHEMBL2164558 0.85 SRC (0.67) PIM1KDRSRCRETEGFR
SCHEMBL2163647 0.85 EGFR (0.56) KDRSRCRETEGFRFLT1
SCHEMBL2165571 0.84 PIM1 (0.52) PIM1KDRSRCRETEGFR

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 PIM1 742/4885KDR 1/4885SRC 48/4885

“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.