SCHEMBL4933216

SCHEMBL4933216

Clc1cc(Cl)cc(OCc2ccccc2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 1/20 0.63
▸ ALOX5 P09917 1/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ CYP1A2 P05177 2/20 0.53
▸ LMNA P02545 1/20 0.53
▸ PTGS1 P23219 1/20 0.53
▸ SLC6A2 P23975 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ PTGS2 P35354 1/20 0.53
▸ SLC6A3 Q01959 1/20 0.53
▸ HIF1A Q16665 1/20 0.53
▸ HDAC6 Q9UBN7 1/20 0.53
▸ MAOB P27338 6/20 0.52
▸ GAA P10253 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ MAOA P21397 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52

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
SCHEMBL1842452 0.96 MEN1 (0.59) MRGPRX4ALOX5MEN1KMT2ACYP1A2
SCHEMBL29142397 0.89 CYP1A2 (0.58) MRGPRX4ALOX5MEN1KMT2ACYP1A2
SCHEMBL15903046 0.87 MAOB (0.62) MRGPRX4ALOX5MEN1KMT2ACYP1A2
SCHEMBL4852115 0.87 MAOB (0.67) MRGPRX4ALOX5MEN1KMT2ACYP1A2
SCHEMBL30884548 0.87 MRGPRX4 (0.55) MRGPRX4ALOX5MEN1KMT2ACYP1A2
SCHEMBL347904 0.87 MAOB (0.62) MRGPRX4ALOX5MEN1KMT2ACYP1A2
SCHEMBL7316282 0.86 MRGPRX4 (0.54) MRGPRX4ALOX5MEN1KMT2ACYP1A2
SCHEMBL13321691 0.85 MAOB (0.60) MRGPRX4MAOBMAOARXRARXRB
SCHEMBL15907337 0.84 MRGPRX4 (0.49) MRGPRX4ALOX5MEN1KMT2ACYP1A2
SCHEMBL4674930 0.84 MEN1 (0.70) ALOX5MEN1KMT2ACYP1A2LMNA

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
WO-2015086693-A1 PYRAZOLOPYRIMIDIN-2-YL DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2015-06-18 — — WO disclosed
US-8076338-B2 Such as 6-(4-phenylpiperazin-1-yl)-9H-purine; cell proliferation/differentiation EXELIXIS, INC. (US) 2011-12-13 — — US disclosed
US-20080076774-A1 Kinase Modulators and Methods of Use EXELIXIS, INC. (US) 2008-03-27 — — US disclosed
EP-1750727-A2 KINASE MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2007-02-14 — — EP disclosed
WO-2005117909-A2 KINASE MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2005-12-15 — — WO disclosed
US-6441017-B1 Inhibitors of prenyl-protein transferase MERCK & CO., INC. 2002-08-27 — — US disclosed
EP-1214326-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2002-06-19 — — EP disclosed
WO-2001018006-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2001-03-15 — — 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 (1 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-20080076774-A1 Kinase Modulators and Methods of Use AKT3, RPS6KA3, CDK3 MRGPRX4 1904/4885ALOX5 2819/4885MEN1 2030/4885

“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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