SCHEMBL12297449

SCHEMBL12297449

COc1cccc(-c2csc(Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 6/20 0.67
▸ CYP1A1 P04798 5/20 0.67
▸ CYP1B1 Q16678 5/20 0.67
▸ CSNK2A1 P68400 1/20 0.62
▸ ALOX5 P09917 2/20 0.61
▸ PTGS2 P35354 2/20 0.60
▸ MEN1 O00255 6/20 0.58
▸ KMT2A Q03164 6/20 0.58
▸ NPC1 O15118 5/20 0.58
▸ RAB9A P51151 5/20 0.58
▸ MAPT P10636 3/20 0.57
▸ CYP3A4 P08684 1/20 0.57
▸ CYP2D6 P10635 1/20 0.57
▸ CYP2C9 P11712 1/20 0.57
▸ PKM P14618 1/20 0.57
▸ CYP2C19 P33261 1/20 0.57
▸ CLK1 P49759 1/20 0.57
▸ GSK3A P49840 1/20 0.57
▸ GSK3B P49841 1/20 0.57
▸ CDK5 Q00535 1/20 0.57

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
SCHEMBL23539883 0.92 VCP (0.65) CYP1A2CYP1A1CYP1B1CSNK2A1ALOX5
SCHEMBL12297323 0.87 ALOX5 (0.72) CYP1A2CYP1A1CYP1B1CSNK2A1ALOX5
SCHEMBL12297447 0.84 ALOX5 (0.67) CYP1A2CYP1A1CYP1B1ALOX5PTGS2
SCHEMBL12297187 0.83 MEN1 (0.78) CYP1A2CYP1A1CYP1B1CSNK2A1ALOX5
SCHEMBL12297372 0.83 CSNK2A1 (0.69) CYP1A2CYP1A1CYP1B1CSNK2A1ALOX5
SCHEMBL12297437 0.82 PTGS2 (0.61) CYP1A2CYP1A1CYP1B1CSNK2A1ALOX5
SCHEMBL23554023 0.82 VCP (0.73) CYP1A2CYP1A1CYP1B1ALOX5PTGS2
SCHEMBL23742591 0.81 CYP1A2 (0.69) CYP1A2CYP1A1CYP1B1CSNK2A1ALOX5
SCHEMBL12297842 0.81 CSNK2A1 (0.62) CYP1A2CYP1A1CYP1B1CSNK2A1ALOX5
SCHEMBL23554025 0.81 VCP (0.65) CYP1A2CYP1A1CYP1B1ALOX5PTGS2

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 10 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
US-7244739-B2 Compounds and uses thereof in modulating amyloid beta TORREYPINES THERAPEUTICS, INC. (US) 2007-07-17 — — US disclosed
US-7244739-B2 Compounds and uses thereof in modulating amyloid beta TORREYPINES THERAPEUTICS, INC. (US) 2007-07-17 — — 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 CYP1A2 3563/4885CYP1A1 3493/4885CYP1B1 2611/4885
US-20070260058-A1 Compounds and Uses Thereof in Modulating Amyloid Beta APP, BACE1, BACE2 CYP1A2 3563/4885CYP1A1 3493/4885CYP1B1 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.

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