SCHEMBL12298043

SCHEMBL12298043

CSc1ccc(Nc2nc(-c3ccc(-n4ccnc4)cc3)cs2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 2/20 0.61
CYP1A2 P05177 2/20 0.61
CYP1B1 Q16678 2/20 0.61
PSEN1 P49768 1/20 0.56
PSEN2 P49810 1/20 0.56
APH1B Q8WW43 1/20 0.56
NCSTN Q92542 1/20 0.56
APH1A Q96BI3 1/20 0.56
PSENEN Q9NZ42 1/20 0.56
MAPT P10636 5/20 0.51
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
CFTR P13569 3/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
TDP1 Q9NUW8 2/20 0.48
PTGS2 P35354 2/20 0.48
VCP P55072 2/20 0.48
ESR1 P03372 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
SCHEMBL8295088 0.89 CFTR (0.66) CYP1A1CYP1A2CYP1B1PSEN1PSEN2
SCHEMBL10072614 0.87 RAB9A (0.68) CYP1A1CYP1A2CYP1B1PSEN1PSEN2
SCHEMBL8296776 0.85 CYP1A1 (0.65) CYP1A1CYP1A2CYP1B1PSEN1PSEN2
SCHEMBL12297984 0.85 ESR1 (0.68) CYP1A1CYP1A2CYP1B1PSEN1PSEN2
SCHEMBL10072683 0.85 CYP1A1 (0.65) CYP1A1CYP1A2CYP1B1PSEN1PSEN2
SCHEMBL12297890 0.85 CYP1A1 (0.65) CYP1A1CYP1A2CYP1B1PSEN1PSEN2
SCHEMBL8296712 0.84 PTGS2 (0.71) CYP1A1CYP1A2CYP1B1PSEN1PSEN2
SCHEMBL12297885 0.84 PSEN1 (0.63) CYP1A1CYP1A2CYP1B1PSEN1PSEN2
SCHEMBL12297745 0.83 PSEN1 (0.62) CYP1A1CYP1A2CYP1B1PSEN1PSEN2
SCHEMBL12298333 0.83 PSEN1 (0.75) CYP1A1CYP1A2CYP1B1PSEN1PSEN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8017629-B2 Compounds and uses thereof in modulating amyloid β NEUROGENETIC PHARMACEUTICALS, INC. (US) 2011-09-13 US disclosed
US-8017629-B2 Compounds and uses thereof in modulating amyloid β NEUROGENETIC PHARMACEUTICALS, INC. (US) 2011-09-13 US disclosed
US-20100324032-A1 COMPOUNDS AND USES THEREOF IN MODULATING AMYLOID BETA NEUROGENETIC PHARMACEUTICALS, INC. 2010-12-23 US disclosed
US-20100324032-A1 COMPOUNDS AND USES THEREOF IN MODULATING AMYLOID BETA NEUROGENETIC PHARMACEUTICALS, INC. 2010-12-23 US disclosed
US-7781442-B2 Compounds and uses thereof in modulating amyloid beta NEUROGENETIC PHARMACEUTICALS, INC. (US) 2010-08-24 US disclosed
US-7781442-B2 Compounds and uses thereof in modulating amyloid beta NEUROGENETIC PHARMACEUTICALS, INC. (US) 2010-08-24 US disclosed
US-20070260058-A1 Compounds and Uses Thereof in Modulating Amyloid Beta TORREYPINES THERAPEUTICS INC. 2007-11-08 US disclosed
US-20070260058-A1 Compounds and Uses Thereof in Modulating Amyloid Beta TORREYPINES THERAPEUTICS INC. 2007-11-08 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 (2 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-20100324032-A1 COMPOUNDS AND USES THEREOF IN MODULATING AMYLOID BETA APP, BACE1, BACE2 CYP1A1 3493/4885CYP1A2 3563/4885CYP1B1 2611/4885
US-20070260058-A1 Compounds and Uses Thereof in Modulating Amyloid Beta APP, BACE1, BACE2 CYP1A1 3493/4885CYP1A2 3563/4885CYP1B1 2611/4885

“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.