SCHEMBL10101988

SCHEMBL10101988

COc1cc2c(Nc3cccc(F)c3)ncnc2cc1O

nearest known ligand 0.82

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGFR P00533 9/20 0.82
LCK P06239 2/20 0.80
RAF1 P04049 1/20 0.75
BRAF P15056 1/20 0.75
FBP1 P09467 1/20 0.68
KDR P35968 9/20 0.67
RET P07949 7/20 0.67
KIF5B P33176 4/20 0.67
FGFR1 P11362 1/20 0.67
FLT1 P17948 1/20 0.67
CDK2 P24941 1/20 0.67
PIK3R1 P27986 1/20 0.67
EPHB2 P29323 1/20 0.67
TTBK1 Q5TCY1 1/20 0.67
NOD1 Q9Y239 2/20 0.66
RIPK2 O43353 1/20 0.65
AURKA O14965 1/20 0.62
AURKB Q96GD4 1/20 0.62
SRC P12931 1/20 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
SCHEMBL5482884 0.90 EGFR (1.00) EGFRLCKRAF1FBP1KDR
Hydrochloric Acid SCHEMBL5475745 0.89 EGFR (1.00) EGFRLCKRAF1FBP1KDR
SCHEMBL13604745 0.88 EGFR (0.82) EGFRLCKRAF1BRAFKDR
SCHEMBL2100551 0.87 EGFR (0.82) EGFRLCKRAF1BRAFFBP1
SCHEMBL6674055 0.87 KDR (0.82) EGFRLCKRAF1BRAFFBP1
SCHEMBL22367405 0.86 EGFR (0.82) EGFRFBP1KDRRETKIF5B
SCHEMBL15052584 0.86 BRAF (1.00) RAF1BRAF
SCHEMBL14964757 0.84 EGFR (0.81) EGFRLCKRAF1BRAFKDR
SCHEMBL5239599 0.84 EGFR (0.80) EGFRLCKRAF1BRAFKDR
SCHEMBL13285584 0.83 EGFR (0.83) EGFRLCKRAF1BRAFFBP1

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 3 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
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 768/4885LCK 4032/4885RAF1 4129/4885

“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.