Sugi Predict

Sugi Predict / Compounds / SCHEMBL1286402

SCHEMBL1286402

SCHEMBL1286402

COc1ccc(F)c(OBOc2cc(OC)ccc2F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.48
▸ CA1 P00915 2/20 0.48
▸ CA2 P00918 2/20 0.48
▸ CA7 P43166 2/20 0.48
▸ CA9 Q16790 2/20 0.48
▸ CA14 Q9ULX7 2/20 0.48
▸ CYP1A2 P05177 6/20 0.42
▸ CYP1A1 P04798 5/20 0.42
▸ CYP1B1 Q16678 5/20 0.42
▸ ALDH1A1 P00352 4/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ MAPT P10636 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ CYP2A6 P11509 2/20 0.39
▸ CYP2E1 P05181 1/20 0.39
▸ CYP2C8 P10632 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39

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
SCHEMBL1277335 0.88 CA12 (0.48) CA12CA1CA2CA7CA9
SCHEMBL17408860 0.85 CA12 (0.45) CA12CA1CA2CA7CA9
SCHEMBL22472 0.84 CA12 (0.43) CA12CA1CA2CA7CA9
SCHEMBL2219799 0.83 CA12 (0.62) CA12CA1CA2CA7CA9
SCHEMBL8148997 0.81 CA12 (0.54) CA12CA1CA2CA7CA9
SCHEMBL7236023 0.80 CA12 (0.54) CA12CA1CA2CA7CA9
SCHEMBL16991113 0.79 NQO1 (0.45) CYP1A2ALDH1A1CYP3A4MAPTMEN1
SCHEMBL8417 0.79 ALDH1A1 (0.40) ALDH1A1KMT2A
SCHEMBL1963842 0.79 CA12 (0.71) CA12CA1CA2CA7CA9
SCHEMBL290040 0.79 CA12 (0.71) CA12CA1CA2CA7CA9

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4291235-A1 HPK1 ANTAGONISTS AND USES THEREOF Nimbus Saturn, Inc. (US) 2023-12-20 — — EP disclosed
US-20230096641-A1 HPK1 ANTAGONISTS AND USES THEREOF NIMBUS DISCOVERY, INC. 2023-03-30 — — US disclosed
WO-2022174253-A1 HPK1 ANTAGONISTS AND USES THEREOF Nimbus Saturn, Inc. (US) 2022-08-18 — — WO disclosed
EP-2078003-B1 ANILINOPIPERAZINE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME (US) 2017-03-08 — — EP disclosed
US-9206142-B2 Anilinopiperazine derivatives and methods of use thereof MERCK SHARP & DOHME CORP. (US) 2015-12-08 — — US disclosed
EP-2628727-A2 Biaryl PDE4 inhibitors for treating pulmonary and cardiovascular disorders Decode Genetics EHF (IS) 2013-08-21 — — EP disclosed
US-20120328691-A1 ANILINOPIPERAZINE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME LLC 2012-12-27 — — US disclosed
US-20120270875-A1 PYRIMIDINE AMIDE COMPOUNDS GILLESPIE PAUL (US) 2012-10-25 — — US disclosed
WO-2012123467-A1 PYRIMIDINE AMIDE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-09-20 — — WO disclosed
US-20120213758-A1 BIARYL PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS DeCODE Genetics enf (IS) 2012-08-23 — — US disclosed
US-20080318925-A1 Compounds and Uses Thereof - 849 ASTRAZENECA AB (SE) 2008-12-25 — — US disclosed
WO-2008155572-A2 FUSED QUINOLINE DERIVATIVES USEFUL AS GABA MODULATORS ASTRAZENECA AB (SE) 2008-12-24 — — WO disclosed
WO-2008155573-A1 CINNOLINE COMPOUNDS FOR USE IN THE TREATMENT OF SCHIZOPHRENIA ASTRAZENECA AB (SE) 2008-12-24 — — WO disclosed
US-7465795-B2 Compounds and uses thereof ASTRAZENECA AB (SE) 2008-12-16 — — US disclosed
US-7425556-B2 Compounds and uses thereof ASTRAZENECA AB (SE) 2008-09-16 — — US disclosed
EP-1966158-A1 SUBSTITUTED CINNOLINE DERIVATIVES AS GABAA-RECEPTOR MODULATORS AND METHOD FOR THEIR SYNTHESIS AstraZeneca AB (SE) 2008-09-10 — — EP disclosed
WO-2008054702-A1 ANILINOPIPERAZINE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION (US) 2008-05-08 — — WO disclosed
WO-2007073283-A1 SUBSTITUTED CINNOLINE DERIVATIVES AS GABAA-RECEPTOR MODULATORS AND METHOD FOR THEIR SYNTHESIS ASTRAZENECA AB (SE) 2007-06-28 — — WO disclosed
US-20070142328-A1 Compounds and Uses Thereof ASTRAZENECA AB (SE) 2007-06-21 — — US disclosed
US-20070142382-A1 Compounds and Uses Thereof ASTRAZENECA AB (SE) 2007-06-21 — — 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 (7 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-20120270875-A1 PYRIMIDINE AMIDE COMPOUNDS UMPS, TYMS, DPYD CA12 4782/4885CA1 4743/4885CA2 4246/4885
US-20070142328-A1 Compounds and Uses Thereof MAPT, BDNF, PYGB CA12 602/4885CA1 140/4885CA2 2291/4885
US-20070142382-A1 Compounds and Uses Thereof MAPT, BDNF, PYGB CA12 602/4885CA1 140/4885CA2 2291/4885
US-20230096641-A1 HPK1 ANTAGONISTS AND USES THEREOF PDXK, HIPK1, PCK1 CA12 4822/4885CA1 4794/4885CA2 4409/4885
US-20120328691-A1 ANILINOPIPERAZINE DERIVATIVES AND METHODS OF USE THEREOF MAPK15, CDK15, MAPKAPK5 CA12 3583/4885CA1 2956/4885CA2 3670/4885
US-20120213758-A1 BIARYL PDE4 INHIBITORS FOR TREATING PULMONARY AND CARDIOVASCULAR DISORDERS PDE4A, PDE4B, PDE3B CA12 3091/4885CA1 2404/4885CA2 867/4885
US-20080318925-A1 Compounds and Uses Thereof - 849 COMT, UGT1A9, BACE1 CA12 1730/4885CA1 850/4885CA2 4210/4885

“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.