SCHEMBL5239666

SCHEMBL5239666

COc1cc2ncnc(Nc3ccc(Cl)cc3)c2cc1OC(C)=O

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 18/20 0.80
FLT1 P17948 1/20 0.80
HDAC3 O15379 4/20 0.67
HDAC4 P56524 4/20 0.67
HDAC1 Q13547 4/20 0.67
HDAC7 Q8WUI4 4/20 0.67
HDAC2 Q92769 4/20 0.67
HDAC10 Q969S8 4/20 0.67
HDAC11 Q96DB2 4/20 0.67
HDAC8 Q9BY41 4/20 0.67
HDAC6 Q9UBN7 4/20 0.67
HDAC9 Q9UKV0 4/20 0.67
HDAC5 Q9UQL6 4/20 0.67
EGFR P00533 7/20 0.67
RET P07949 2/20 0.65
GAK O14976 1/20 0.65
RIPK2 O43353 1/20 0.65
STK10 O94804 1/20 0.65
FLT3 P36888 1/20 0.65
JAK3 P52333 1/20 0.65

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
SCHEMBL5477771 0.89 KDR (1.00) KDRFLT1HDAC3HDAC4HDAC1
SCHEMBL22630824 0.89 KDR (0.69) KDREGFRRETAURKAERBB2
SCHEMBL14964683 0.89 EGFR (0.80) KDRHDAC3HDAC4HDAC1HDAC7
SCHEMBL6688859 0.89 KDR (0.67) KDRFLT1EGFRRETGAK
SCHEMBL5240218 0.89 EGFR (0.79) KDRFLT1EGFRRETGAK
SCHEMBL30968994 0.89 EGFR (0.82) KDRHDAC3HDAC4HDAC1HDAC7
SCHEMBL3328655 0.89 EGFR (0.82) KDRHDAC3HDAC4HDAC1HDAC7
Hydrochloric Acid SCHEMBL5473772 0.88 KDR (0.97) KDRFLT1HDAC3HDAC4HDAC1
Hydrochloric Acid SCHEMBL641764 0.88 EGFR (0.80) KDRHDAC3HDAC4HDAC1HDAC7
SCHEMBL31067633 0.88 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 7 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
EP-1680426-A1 1.3.4-TRIAZA-PHENALENE AND 1,3,4,6-TETRAAZAPHENALENE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-07-19 EP disclosed
WO-2004111055-A1 1.3.4-TRIAZA-PHENALENE AND 1,3,4,6-TETRAAZAPHENALENE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-12-23 WO 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.