SCHEMBL5236221

SCHEMBL5236221

C=CCOc1cc2c(Nc3ccc(Cl)cc3)ncnc2cc1OC

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 9/20 0.78
FLT1 P17948 1/20 0.78
HDAC3 O15379 4/20 0.63
HDAC4 P56524 4/20 0.63
HDAC1 Q13547 4/20 0.63
HDAC7 Q8WUI4 4/20 0.63
HDAC2 Q92769 4/20 0.63
HDAC10 Q969S8 4/20 0.63
HDAC11 Q96DB2 4/20 0.63
HDAC8 Q9BY41 4/20 0.63
HDAC6 Q9UBN7 4/20 0.63
HDAC9 Q9UKV0 4/20 0.63
HDAC5 Q9UQL6 4/20 0.63
EGFR P00533 13/20 0.63
LCK P06239 4/20 0.62
FBP1 P09467 2/20 0.61
CLK1 P49759 2/20 0.61
AURKA O14965 1/20 0.61
ERBB2 P04626 1/20 0.61
INSR P06213 1/20 0.61

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
SCHEMBL5238437 0.89 EGFR (0.77) KDRFLT1EGFRLCKRET
SCHEMBL5237602 0.89 EGFR (0.80) KDREGFRFBP1CLK1AURKA
SCHEMBL5477771 0.89 KDR (1.00) KDRFLT1HDAC3HDAC4HDAC1
Hydrochloric Acid SCHEMBL5473772 0.87 KDR (0.97) KDRFLT1HDAC3HDAC4HDAC1
SCHEMBL14515609 0.87 EGFR (0.68) KDREGFRFBP1CLK1AURKA
SCHEMBL8933814 0.83 KDR (0.88) KDRFLT1EGFRLCKFBP1
SCHEMBL5239624 0.82 EGFR (0.80) KDRHDAC3HDAC4HDAC1HDAC7
Hydrochloric Acid SCHEMBL8808201 0.82 KDR (0.86) KDRFLT1EGFRLCKFBP1
SCHEMBL28105746 0.81 KDR (0.75) KDRFLT1HDAC3HDAC4HDAC1
SCHEMBL31067633 0.80 KDR (0.82) KDRFLT1HDAC3HDAC4HDAC1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1680426-B1 1.3.4-TRIAZA-PHENALENE AND 1,3,4,6-TETRAAZAPHENALENE DERIVATIVES HOFFMANN LA ROCHE (CH) 2007-09-19 EP disclosed
US-7217717-B2 Phenalene derivatives HOFFMANN-LA ROCHE INC. (US) 2007-05-15 US disclosed
US-7217717-B2 Phenalene derivatives HOFFMANN-LA ROCHE INC. (US) 2007-05-15 US disclosed
US-7217717-B2 Phenalene derivatives HOFFMANN-LA ROCHE INC. (US) 2007-05-15 US disclosed
US-20040254205-A1 Phenalene derivatives LUK KIN-CHUN (US) 2004-12-16 US 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-20040254205-A1 Phenalene derivatives EGFR, ERBB2, ERBB4 KDR 504/4885FLT1 209/4885HDAC3 1605/4885

“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.