SCHEMBL5242610

SCHEMBL5242610

COc1cc2ncnc(Nc3ccc(Cl)cc3)c2cc1O

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 11/20 0.81
FLT1 P17948 1/20 0.81
RET P07949 6/20 0.70
KIF5B P33176 4/20 0.70
EGFR P00533 11/20 0.69
RIPK2 O43353 2/20 0.69
JAK3 P52333 2/20 0.69
GAK O14976 1/20 0.69
STK10 O94804 1/20 0.69
FLT3 P36888 1/20 0.69
AAK1 Q2M2I8 1/20 0.69
Q6ZSR9 Q6ZSR9 1/20 0.69
SLK Q9H2G2 1/20 0.69
IRAK4 Q9NWZ3 1/20 0.69
RPS6KA6 Q9UK32 1/20 0.69
ALK Q9UM73 1/20 0.69
LCK P06239 3/20 0.67
NOD1 Q9Y239 1/20 0.65
FBP1 P09467 2/20 0.62
AURKB Q96GD4 2/20 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
SCHEMBL5477771 0.90 KDR (1.00) KDRFLT1RETKIF5BEGFR
Hydrochloric Acid SCHEMBL5473772 0.88 KDR (0.97) KDRFLT1RETKIF5BEGFR
SCHEMBL22630825 0.88 KDR (0.77) KDRFLT1RETKIF5BEGFR
SCHEMBL14964757 0.88 EGFR (0.81) KDRFLT1RETKIF5BEGFR
SCHEMBL8383 0.87 EGFR (0.83) KDRRETKIF5BEGFRRIPK2
SCHEMBL29679736 0.87 EGFR (0.83) KDRRETKIF5BEGFRRIPK2
SCHEMBL30124192 0.87 EGFR (0.83) KDRRETKIF5BEGFRRIPK2
SCHEMBL5239599 0.87 EGFR (0.80) KDRFLT1RETKIF5BEGFR
SCHEMBL14996742 0.87 EGFR (0.82) KDRFLT1RETKIF5BEGFR
Hydrochloric Acid SCHEMBL28040041 0.86 EGFR (0.81) KDRRETKIF5BEGFRRIPK2

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 209/4885RET 10/4885

“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.