SCHEMBL3331532

SCHEMBL3331532

CC(=O)Oc1ccc(Cl)c(F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRNA3 P32297 1/20 0.49
▸ LMNA P02545 3/20 0.47
▸ PPARG P37231 1/20 0.47
▸ PPARA Q07869 1/20 0.47
▸ KDM4E B2RXH2 3/20 0.46
▸ CYP3A4 P08684 2/20 0.46
▸ ACHE P22303 2/20 0.45
▸ MAPT P10636 3/20 0.43
▸ POLB P06746 2/20 0.43
▸ PKM P14618 1/20 0.43
▸ CA12 O43570 2/20 0.42
▸ CA9 Q16790 2/20 0.42
▸ GLA P06280 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ HTR2A P28223 2/20 0.42
▸ SLC6A4 P31645 2/20 0.42
▸ KCNH2 Q12809 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ TTR P02766 1/20 0.42

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
SCHEMBL6329514 0.85 MAPT (0.49) LMNAKDM4ECYP3A4ACHEMAPT
SCHEMBL23819693 0.83 CHRNA3 (0.50) CHRNA3PPARGPPARACYP3A4MAPT
SCHEMBL823757 0.82 LMNA (0.52) LMNAKDM4ECYP3A4ACHEMAPT
SCHEMBL31621879 0.82 LMNA (0.52) LMNAKDM4ECYP3A4ACHEMAPT
SCHEMBL473532 0.82 LMNA (0.52) CHRNA3LMNAKDM4ECYP3A4ACHE
SCHEMBL27504231 0.82 PPARG (0.44) CHRNA3PPARGPPARACYP3A4MAPT
SCHEMBL5260935 0.81 MEN1 (0.52) CHRNA3PPARGPPARAHTR2ASLC6A4
SCHEMBL7959618 0.81 LMNA (0.47) LMNAKDM4ECYP3A4ACHEMAPT
SCHEMBL1432110 0.79 ACHE (0.59) LMNAKDM4ECYP3A4ACHEMAPT
SCHEMBL29001439 0.79 KDM4E (0.61) LMNAKDM4ECYP3A4ACHEMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2148865-B1 PYRAZOLE INHIBITORS OF WNT SIGNALING GENENTECH INC (US) 2017-05-17 — — EP disclosed
CN-103958502-B Quinazoline compounds as serine/threonine kinase inhibitors ARRAY BIOPHARMA INC. (US) 2016-02-10 — — CN disclosed
US-9187462-B2 Substituted quinazolines as serine/threonine kinase inhibitors ARRAY BIOPHARMA INC. (US) 2015-11-17 — — US disclosed
EP-2739618-B1 QUINAZOLINE COMPOUNDS AS SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2015-09-16 — — EP disclosed
US-20150087664-A1 QUINAZOLINE COMPOUNDS AS SERINE/THREONINE KINASE INHIBITORS GENENTECH, INC. (US) 2015-03-26 — — US disclosed
CN-101952244-B N,N-disubstituted aminoalkylbiphenyl antagonists of prostaglandin D2 receptors AMIRA PHARMACEUTICALS INC 2014-11-05 — — CN disclosed
EP-2739618-A1 QUINAZOLINE COMPOUNDS AS SERINE/THREONINE KINASE INHIBITORS Array Biopharma, Inc. (US) 2014-06-11 — — EP disclosed
CN-102076661-B Antagonists of prostaglandin d2 receptors AMIRA PHARMACEUTICALS INC 2014-04-09 — — CN disclosed
WO-2013020062-A1 QUINAZOLINE COMPOUNDS AS SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2013-02-07 — — WO disclosed
CN-102076661-A Antagonists of prostaglandin d2 receptors AMIRA PHARMACEUTICALS INC 2011-05-25 — — CN disclosed
CN-101952244-A PGD 2The N of acceptor, N-disubstituted amido alkyl biphenyl antagonist AMIRA PHARMACEUTICALS INC 2011-01-19 — — CN disclosed
US-20100137394-A1 PYRAZOLE INHIBITORS OF WNT SIGNALING GRENENTECH, INC. (US) 2010-06-03 — — US disclosed
EP-2148865-A1 PYRAZOLE INHIBITORS OF WNT SIGNALING Genentech, Inc. (US) 2010-02-03 — — EP disclosed
CN-101605798-A Imidazothiazole derivative DAIICHI SANKYO CO LTD (JP) 2009-12-16 — — CN disclosed
WO-2008137408-A1 PYRAZOLE INHIBITORS OF WNT SIGNALING GENENTECH, INC. (US) 2008-11-13 — — WO disclosed
US-20050209274-A1 Antagonists of melanin concentrating hormone effects on the melanin concentrating hormone receptor ABOTT LABORATORIES 2005-09-22 — — US disclosed
CN-1203066-C (METHYLSULFONYL) PHENYL-2- (5H) -FURANONE AS CYCLOOXYGENASE-2 INHIBITORS MERCK FROSST CANADA INC (CA) 2005-05-25 — — CN disclosed
CN-1200119-A (METHYLSULFONYL) PHENYL-2- (5H) -FURANONE AS CYCLOOXYGENASE-2 INHIBITORS MERCK FROSST CANADA INC (CA) 1998-11-25 — — CN 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-20050209274-A1 Antagonists of melanin concentrating hormone effects on the melanin concentrating hormone receptor MCHR1, MCHR2, MC1R CHRNA3 291/4885LMNA 3804/4885PPARG 2233/4885
US-20100137394-A1 PYRAZOLE INHIBITORS OF WNT SIGNALING WNT1, WNT3A, CTNNB1 CHRNA3 4282/4885LMNA 3768/4885PPARG 1939/4885
US-20150087664-A1 QUINAZOLINE COMPOUNDS AS SERINE/THREONINE KINASE INHIBITORS MAP3K1, MAP3K3, MAP3K2 CHRNA3 3865/4885LMNA 3071/4885PPARG 3276/4885

“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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