Sugi Predict

Sugi Predict / Compounds / SCHEMBL217700

SCHEMBL217700

SCHEMBL217700

C[C](C)Oc1cccc(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ WDR5 P61964 1/20 0.46
▸ OGG1 O15527 1/20 0.45
▸ BCHE P06276 1/20 0.44
▸ TSHR P16473 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ MAOA P21397 1/20 0.41
▸ MAOB P27338 1/20 0.41
▸ FAAH O00519 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL18427028 0.83 WDR5 (0.43) WDR5OGG1BCHETSHRKDM4E
SCHEMBL337714 0.83 CYP3A4 (0.63) OGG1BCHEKDM4ELMNACYP3A4
Ammonia Solution, Strong SCHEMBL28761898 0.82 CYP3A4 (0.61) OGG1BCHEKDM4ELMNACYP3A4
SCHEMBL5790568 0.80 OGG1 (0.47) OGG1BCHEKDM4ELMNACYP3A4
SCHEMBL7932475 0.78 BCHE (0.51) WDR5OGG1BCHEKDM4ELMNA
SCHEMBL5916715 0.78 BCHE (0.51) WDR5OGG1BCHEKDM4ELMNA
SCHEMBL4903615 0.77 ELANE (0.49) OGG1BCHEKDM4ELMNACYP3A4
SCHEMBL9671211 0.77 BCHE (0.50) WDR5OGG1BCHEKDM4ELMNA
SCHEMBL7162074 0.77 WDR5 (0.44) WDR5OGG1BCHETSHRLMNA
SCHEMBL3884023 0.77 BCHE (0.50) WDR5OGG1BCHEKDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088797-B2 Substituted N-(4-cyano-1H-pyrazol-3-yl)methylamine derivatives, preparation thereof and therapeutic use thereof SANOFI-AVENTIS (FR) 2012-01-03 — — US claimed
EP-1635839-B1 BENZO[4,5]THIENO[2,3-D]PYRIMIDIN-4-ONES AND THEIR USE IN THERAPY ABBOTT HEALTHCARE PRODUCTS BV (NL) 2010-09-01 — — EP claimed
US-20100041709-A1 SUBSTITUTED N-(4-CYANO-1H-PYRAZOL-3-YL)METHYLAMINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-02-18 — — US claimed
EP-2108012-A2 SUBSTITUTED N-(4-CYANO-1H-PYRAZOL-3-YL)METHYLAMINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2009-10-14 — — EP claimed
US-7524853-B2 Compounds and their use in therapy SOLVAY PHARMACEUTICALS B.V. (NL) 2009-04-28 — — US claimed
US-7465739-B2 Compounds and their use in therapy SOLVAY PHARMACEUTICALS B.V. (NL) 2008-12-16 — — US claimed
WO-2008099076-A2 SUBSTITUTED N-(4-CYANO-1H-PYRAZOL-3-YL)METHYLAMINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2008-08-21 — — WO claimed
CN-1791412-A Novel compounds and their use in therapy SOLVAY PHARM GMBH (NL) 2006-06-21 — — CN claimed
EP-1635839-A2 BENZO[4,5]THIENO[2,3-D]PYRIMIDIN-4-ONES AND THEIR USE IN THERAPY Solvay Pharmaceuticals B.V. (NL) 2006-03-22 — — EP claimed
US-20050176742-A1 Novel compounds and their use in therapy SOLVAY PHARMACEUTICALS B.V. (NL) 2005-08-11 — — US claimed
WO-2005032527-A2 BENZO (4, 5) THIENO (2, 3-D) PYRIMIDIN-4-ONES AND THEIR USE IN THERAPY SOLVAY PHARMACEUTICALS B.V. (NL) 2005-04-14 — — WO claimed
US-20050038053-A1 Novel compounds and their use in therapy SOLVAY PHARMACEUTICALS B.V. (NL) 2005-02-17 — — US claimed
US-8088797-B2 Substituted N-(4-cyano-1H-pyrazol-3-yl)methylamine derivatives, preparation thereof and therapeutic use thereof SANOFI-AVENTIS (FR) 2012-01-03 — — US disclosed
US-20100041709-A1 SUBSTITUTED N-(4-CYANO-1H-PYRAZOL-3-YL)METHYLAMINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-02-18 — — US disclosed
EP-2108012-A2 SUBSTITUTED N-(4-CYANO-1H-PYRAZOL-3-YL)METHYLAMINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2009-10-14 — — EP disclosed
WO-2008099076-A2 SUBSTITUTED N-(4-CYANO-1H-PYRAZOL-3-YL)METHYLAMINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2008-08-21 — — WO disclosed
EP-0389162-A1 2,5,6,7-Tetranor-4,8-inter-m-phenylene PGI2 derivatives TORAY INDUSTRIES, INC. (JP) 1990-09-26 — — EP disclosed
EP-0365678-A1 2,5,6,7-TETRANOR-4,8-INTER-m-PHENYLENE PGI 2 DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND USE THEREOF TORAY INDUSTRIES, INC. (JP) 1990-05-02 — — EP disclosed
US-4775692-A ANTILIPEMIC, ANTICOAGULANT, HYPOTENSIVE, ANTISECRETORY AND ANTIULCER AGENT TORAY INDUSTRIES, INC. (JP) 1988-10-04 — — US disclosed
EP-0232776-A2 2,5,6,7-tetranor-4,8-inter-m-phenylene PGI2 derivatives TORAY INDUSTRIES, INC. (JP) 1987-08-19 — — EP 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-20050176742-A1 Novel compounds and their use in therapy HSD17B11, HSD17B2, HSD17B1 WDR5 4044/4885OGG1 1577/4885BCHE 270/4885
US-20050038053-A1 Novel compounds and their use in therapy HSD17B11, HSD17B2, HSD17B1 WDR5 4044/4885OGG1 1577/4885BCHE 270/4885
US-20100041709-A1 SUBSTITUTED N-(4-CYANO-1H-PYRAZOL-3-YL)METHYLAMINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF PRMT3, PRMT5, PRMT1 WDR5 3549/4885OGG1 2819/4885BCHE 758/4885

“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.