SCHEMBL669948

SCHEMBL669948

C#CCOc1ccc2c(Nc3cccc(F)c3)ncnc2c1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGFR P00533 12/20 0.62
ABCG2 Q9UNQ0 1/20 0.59
FBP1 P09467 1/20 0.56
LCK P06239 1/20 0.55
GMPS P49915 1/20 0.53
AURKB Q96GD4 1/20 0.53
KDR P35968 3/20 0.50
AURKA O14965 1/20 0.50
CDK1 P06493 1/20 0.50
PDGFRB P09619 1/20 0.50
PDGFRA P16234 1/20 0.50
FLT1 P17948 1/20 0.50
FLT4 P35916 1/20 0.50
ILK Q13418 1/20 0.48

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
Hydrochloric Acid SCHEMBL668383 0.80 EGFR (0.80) EGFRFBP1LCKKDR
Hydrochloric Acid SCHEMBL668222 0.80 EGFR (0.80) EGFRFBP1LCKKDR
SCHEMBL668559 0.75 EGFR (1.00) EGFRABCG2LCKAURKBKDR
SCHEMBL10101851 0.74 EGFR (0.71) EGFRABCG2FBP1LCKAURKB
SCHEMBL22336685 0.73 EGFR (0.79) EGFRABCG2FBP1LCKAURKB
SCHEMBL31167366 0.73 EGFR (0.73) EGFRABCG2FBP1LCKAURKB
SCHEMBL1507676 0.73 EGFR (0.73) EGFRABCG2FBP1LCKAURKB
SCHEMBL31167368 0.73 EGFR (0.73) EGFRABCG2FBP1LCKAURKB
SCHEMBL31632932 0.72 EGFR (0.67) EGFRABCG2FBP1LCKAURKB
SCHEMBL7119658 0.72 FBP1 (1.00) EGFRFBP1LCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120046461-A1 STEROIDAL ANTI-HORMONE HYBRIDS NORTHEASTERN UNIVERSITY (US) 2012-02-23 US disclosed
WO-2010085747-A1 STEROIDAL ANTI-HORMONE HYBRIDS NORTHEASTERN UNIVERSITY (US) 2010-07-29 WO 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-20120046461-A1 STEROIDAL ANTI-HORMONE HYBRIDS ESRRA, ESRRB, NR5A1 EGFR 768/4885ABCG2 2837/4885FBP1 3262/4885

“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.