Sugi Predict

Sugi Predict / Compounds / SCHEMBL3171671

SCHEMBL3171671

SCHEMBL3171671

CCCC[Sn](CCCC)(CCCC)c1ncnn1C

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP19A1 P11511 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ LMNA P02545 1/20 0.30

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
SCHEMBL201430 0.72 KMT2A (0.43) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL20809055 0.67 ADORA2A (0.35) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL1095862 0.67 CYP1A2 (0.41) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL6767037 0.66 ALDH1A1 (0.45) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL22659064 0.66 LMNA (0.33) ALDH1A1POLBKMT2ALMNA
SCHEMBL8420904 0.65 — —
SCHEMBL2271582 0.64 EGLN2 (0.41) —
SCHEMBL18038297 0.64 KMT2A (0.42) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL2356296 0.63 ALDH1A1 (0.33) ALDH1A1
SCHEMBL251041 0.63 CYP2C9 (0.35) CYP2C9CYP2C19ALDH1A1POLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4735114-A1 SUBSTITUTED THIENO [3,2-B]PYRIDINES AS INHIBITORS OF PROTEIN KINASES Masarykova Univerzita (CZ) 2026-05-06 — — EP disclosed
WO-2025002491-A1 SUBSTITUTED THIENO [3,2-B]PYRIDINES AS INHIBITORS OF PROTEIN KINASES MASARYKOVA UNIVERZITA (CZ) 2025-01-02 — — WO disclosed
EP-4483954-A1 SUBSTITUTED THIENO [3,2-B]PYRIDINES AS INHIBITORS OF PROTEIN KINASES Masarykova Univerzita (CZ) 2025-01-01 — — EP disclosed
EP-1807393-B1 DIARYLSULFONES AS 5-HT2A ANTAGONISTS MERCK SHARP & DOHME (GB) 2010-03-31 — — EP disclosed
US-7592456-B2 Arylsulfonylnaphthalene derivatives as 5HT2A antagonists MERCK SHARP & DOHME LIMITED (GB) 2009-09-22 — — US disclosed
US-20090170824-A1 Diarylsulfones as 5-HT2A Antagonists CASTRO PINEIRO JOSE LUIS 2009-07-02 — — US disclosed
EP-1858852-B1 HETEROARYLSULFONYL STILBENES AS 5-HT2A ANTAGONISTS MERCK SHARP & DOHME (GB) 2009-07-01 — — EP disclosed
EP-1824817-B1 ARYLSULFONYLNAPHTHALENE DERIVATIVES AS 5HT2A ANTAGONISTS MERCK SHARP & DOHME (GB) 2009-02-04 — — EP disclosed
US-20090012134-A1 Arylsulfonyl Benzofused Heterocycles as 5-Ht2a Antagonists CURTIS NEIL ROY 2009-01-08 — — US disclosed
US-7468393-B2 Diarylsulfones as 5-HT2A antagonists MERCK SHARP & DOHME LTD. (GB) 2008-12-23 — — US disclosed
WO-2004101518-A1 4-ARYLSULPHONYLPIPERIDINE DERIVATIVES FOR ANTAGONISM OF THE 5-HT2A RECEPTOR MERCK SHARP & DOHME LIMITED (GB) 2004-11-25 — — WO disclosed
US-6777430-B2 A DERIVATIVES WITH ATTACHED TO AN N-ARYLALKYL-SUBSTITUTED AZETIDINE, PYRROLIDINE OR PIPERIDINE RING; A SERATONIN RECEPTOR ANTAGONISTS FOR TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDER SCHIZOPHRENIA, DEPRESSION MERCK SHARP & DOHME LTD. 2004-08-17 — — US disclosed
EP-1147084-B1 PHENYLSULPHONYL DERIVATIVES AS 5-HT RECEPTOR LIGANDS MERCK SHARP & DOHME (GB) 2004-05-19 — — EP disclosed
US-20030203889-A1 Phenylsulphonyl derivatives as 5-HT receptor ligands MERCK & CO., INC. 2003-10-30 — — US disclosed
US-20030181464-A1 Phenylsulphonylipiperazinyl derivatives as 5-ht receptor ligands THE INSTITUTE OF CANCER RESEARCH (GB) 2003-09-25 — — US disclosed
US-6559166-B1 A class of phenylsulphonyl derivatives wherein the sulphonyl moiety is also attached to an N-arylalkyl-substituted azetidine, pyrrolidine or piperidine ring are selective antagonists of the human 5-HT2A receptor and are therefore MERCK SHARP & DOHME LTD. 2003-05-06 — — US disclosed
EP-1280785-A1 PHENYLSULPHONYLPIPERAZINYL DERIVATIVES AS 5-HT RECEPTOR LIGANDS MERCK SHARP & DOHME LTD. (GB) 2003-02-05 — — EP disclosed
EP-1147084-A1 PHENYLSULPHONYL DERIVATIVES AS 5-HT RECEPTOR LIGANDS MERCK SHARP & DOHME LTD. (GB) 2001-10-24 — — EP disclosed
WO-2001074797-A1 PHENYLSULPHONYLPIPERAZINYL DERIVATIVES AS 5-HT RECEPTOR LIGANDS MERCK SHARP & DOHME LIMITED (GB) 2001-10-11 — — WO disclosed
WO-2000043362-A1 PHENYLSULPHONYL DERIVATIVES AS 5-HT RECEPTOR LIGANDS MERCK SHARP & DOHME LIMITED (GB) 2000-07-27 — — 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 (4 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-20090170824-A1 Diarylsulfones as 5-HT2A Antagonists HTR2A, HTR2B, HTR1A CYP1A2 143/4885CYP3A4 598/4885CYP2D6 102/4885
US-20090012134-A1 Arylsulfonyl Benzofused Heterocycles as 5-Ht2a Antagonists HTR2A, HTR2C, HTR2B CYP1A2 92/4885CYP3A4 511/4885CYP2D6 163/4885
US-20030203889-A1 Phenylsulphonyl derivatives as 5-HT receptor ligands HTR2A, HTR5A, HTR2C CYP1A2 601/4885CYP3A4 1898/4885CYP2D6 637/4885
US-20030181464-A1 Phenylsulphonylipiperazinyl derivatives as 5-ht receptor ligands HTR2A, HTR2C, HTR2B CYP1A2 86/4885CYP3A4 285/4885CYP2D6 221/4885

“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.