SCHEMBL2280405

SCHEMBL2280405

O=c1c(-c2ccc(O)c(F)c2)cnc2n1CCN2c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 3/20 0.37
ALOX5AP P20292 9/20 0.36
FEN1 P39748 9/20 0.36
HSD17B1 P14061 1/20 0.36
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ACMSD Q8TDX5 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
PIK3CD O00329 1/20 0.34
PIK3R1 P27986 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
PIK3CG P48736 1/20 0.34
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL2281147 0.81 S1PR5 (0.41) FEN1
SCHEMBL2281528 0.73 MET (0.44)
SCHEMBL2282937 0.70 NPC1 (0.44) LMNARAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL14459730 0.68 TP53 (0.43) LMNARAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL2379712 0.67 MET (0.58) MIF
SCHEMBL2288757 0.67 MET (0.58) ALDH1A1
SCHEMBL3915728 0.67 MET (0.42) MIFFEN1HSD17B10ACMSDALDH1A1
SCHEMBL12376783 0.67 NPC1 (0.41) LMNARAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL3912607 0.67 MIF (0.37) MIFESR1ESR2KDM4ELMNA
SCHEMBL3912802 0.65 MET (0.45)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8003662-B2 Heterobicyclic thiophene compounds and methods of use ARRAY BIOPHARMA, INC. (US) 2011-08-23 US disclosed
EP-1989211-A2 HETEROBICYCLIC THIOPHENE COMPOUNDS FOR THE TREATMENT OF CANCER Array Biopharma, Inc. (US) 2008-11-12 EP disclosed
WO-2008063202-A2 HETEROBICYCLIC THIOPHENE COMPOUNDS FOR THE TREATMENT OF CANCER ARRAY BIOPHARMA INC. (US) 2008-05-29 WO disclosed
US-20070197537-A1 Heterobicyclic thiophene compounds and methods of use ARRAY BIOPHARMA, INC. 2007-08-23 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-20070197537-A1 Heterobicyclic thiophene compounds and methods of use ERBB2, LCK, SRC MIF 1907/4885ALOX5AP 3557/4885FEN1 3115/4885

“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.