SCHEMBL6001690

SCHEMBL6001690

COc1ccc(Oc2nc(-c3ccc(F)cc3)nc3ccccc23)cc1F

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 8/20 0.59
KDM4E B2RXH2 2/20 0.56
MAPK1 P28482 2/20 0.56
MAPT P10636 5/20 0.56
LMNA P02545 2/20 0.56
TP53 P04637 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
ABCB1 P08183 2/20 0.53
ABCC1 P33527 1/20 0.53
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
GAA P10253 1/20 0.51
KMT2A Q03164 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51

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
SCHEMBL6001192 0.92 MAPT (0.60) ABCG2KDM4EMAPK1MAPTLMNA
SCHEMBL6001165 0.81 KDM4E (0.54) ABCG2KDM4EMAPK1MAPTLMNA
SCHEMBL6001397 0.81 TDO2 (0.46) ABCG2KDM4EMAPTLMNAALDH1A1
SCHEMBL6001931 0.78 ABCG2 (0.93) ABCG2MAPTLMNATP53SMN1; SMN2
SCHEMBL6001935 0.76 LMNA (0.55) ABCG2KDM4EMAPK1MAPTLMNA
SCHEMBL6001437 0.76 KDM4E (0.71) ABCG2KDM4EMAPK1MAPTLMNA
SCHEMBL15347452 0.76 MAPK1 (0.84) ABCG2KDM4EMAPK1MAPTLMNA
SCHEMBL25082162 0.74 ABCG2 (0.58) ABCG2MAPTLMNATP53SMN1; SMN2
SCHEMBL16404335 0.73 ABCG2 (0.74) ABCG2KDM4EMAPK1MAPTLMNA
SCHEMBL23743253 0.73 MAPT (0.72) ABCG2KDM4EMAPK1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060128702-A1 Heterocyclic and bicyclic compounds, compositions and methods REDDY US THERAPEUTICS, INC. 2006-06-15 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-20060128702-A1 Heterocyclic and bicyclic compounds, compositions and methods HPSE, ENGASE, UGCG ABCG2 2694/4885KDM4E 2893/4885MAPK1 2185/4885

“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.