SCHEMBL875765

SCHEMBL875765

O=Cc1cnc(Oc2ccc(F)c(C(F)(F)F)c2)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.41
▸ POLB P06746 2/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ CASP6 P55212 1/20 0.41
▸ KCNH2 Q12809 2/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ CDK8 P49336 2/20 0.38
▸ KIF11 P52732 1/20 0.38
▸ SLC22A12 Q96S37 1/20 0.37
▸ PLA2G7 Q13093 1/20 0.35
▸ SCN9A Q15858 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ BRAF P15056 2/20 0.34
▸ KDR P35968 2/20 0.34
▸ BACE1 P56817 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ LTA4H P09960 1/20 0.34

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
SCHEMBL875574 0.89 KDR (0.44) ALDH1A1POLBL3MBTL1CASP6CDK8
SCHEMBL9900889 0.87 KCNH2 (0.39) KCNH2HTR2ASLC6A4CDK8SLC22A12
SCHEMBL17467929 0.82 ALDH1A1 (0.63) ALDH1A1POLBL3MBTL1CASP6KCNH2
SCHEMBL876197 0.81 ALDH1A1 (0.65) ALDH1A1POLBL3MBTL1KDM4EKDR
SCHEMBL876592 0.80 ALDH1A1 (0.59) ALDH1A1POLBL3MBTL1CASP6KCNH2
SCHEMBL14671197 0.79 KIF11 (0.42) ALDH1A1POLBL3MBTL1KCNH2HTR2A
SCHEMBL876023 0.79 KCNH2 (0.39) KCNH2HTR2ASLC6A4CDK8KIF11
SCHEMBL1283899 0.79 KIF11 (0.51) ALDH1A1POLBL3MBTL1CASP6KCNH2
SCHEMBL16838780 0.78 KDM4E (0.56) ALDH1A1POLBL3MBTL1CASP6KCNH2
SCHEMBL9901028 0.77 PLA2G7 (0.38) KCNH2HTR2ASLC6A4CDK8SLC22A12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140378487-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LTD (GB) 2014-12-25 — — US disclosed
US-20140378487-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LTD (GB) 2014-12-25 — — US disclosed
US-20140378487-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LTD (GB) 2014-12-25 — — US disclosed
US-8871928-B2 Tricyclic compounds, preparation methods, and their uses GLAXO GROUP LIMITED (GB) 2014-10-28 — — US disclosed
US-8871928-B2 Tricyclic compounds, preparation methods, and their uses GLAXO GROUP LIMITED (GB) 2014-10-28 — — US disclosed
US-8871928-B2 Tricyclic compounds, preparation methods, and their uses GLAXO GROUP LIMITED (GB) 2014-10-28 — — US disclosed
US-8859573-B2 Pyrimidinone and pyridinone compounds for use in the treatment of diseases or conditions mediated by Lp-PLA2 GLAXO GROUP LIMITED (GB) 2014-10-14 — — US disclosed
US-8859573-B2 Pyrimidinone and pyridinone compounds for use in the treatment of diseases or conditions mediated by Lp-PLA2 GLAXO GROUP LIMITED (GB) 2014-10-14 — — US disclosed
US-8859573-B2 Pyrimidinone and pyridinone compounds for use in the treatment of diseases or conditions mediated by Lp-PLA2 GLAXO GROUP LIMITED (GB) 2014-10-14 — — US disclosed
EP-2649050-A1 COMPOUNDS Glaxo Group Limited (GB) 2013-10-16 — — EP disclosed
US-20130252986-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2013-09-26 — — US disclosed
US-20130252986-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2013-09-26 — — US disclosed
US-20130252986-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2013-09-26 — — US disclosed
EP-2619203-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES Glaxo Group Limited (GB) 2013-07-31 — — EP disclosed
US-20130178488-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LIMITED (GB) 2013-07-11 — — US disclosed
US-20130178488-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LIMITED (GB) 2013-07-11 — — US disclosed
US-20130178488-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LIMITED (GB) 2013-07-11 — — US disclosed
WO-2012075917-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-06-14 — — WO disclosed
WO-2012037782-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LIMITED (GB) 2012-03-29 — — WO disclosed
WO-2012037782-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LIMITED (GB) 2012-03-29 — — 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 (3 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-20140378487-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES LIPG, PCSK9, ENPP2 ALDH1A1 3675/4885POLB 1644/4885L3MBTL1 3983/4885
US-20130178488-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES LIPG, PCSK9, ENPP2 ALDH1A1 3675/4885POLB 1644/4885L3MBTL1 3983/4885
US-20130252986-A1 COMPOUNDS LIPG, ENPP2, PLA2G1B ALDH1A1 3180/4885POLB 2258/4885L3MBTL1 3510/4885

“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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