SCHEMBL16820357

SCHEMBL16820357

N#Cc1cccc(S(=O)(=O)c2ccc(CNC(=O)N3Cc4ccncc4C3)nc2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 20/20 1.00
▸ CYP2D6 P10635 1/20 0.58
▸ CYP2C9 P11712 1/20 0.58
▸ CYP2C19 P33261 1/20 0.58

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
SCHEMBL16858115 0.91 NAMPT (0.84) NAMPTCYP2D6CYP2C9CYP2C19
SCHEMBL16858055 0.87 NAMPT (0.82) NAMPTCYP2D6CYP2C9CYP2C19
SCHEMBL16858045 0.87 NAMPT (1.00) NAMPTCYP2D6CYP2C9CYP2C19
SCHEMBL16820351 0.86 NAMPT (1.00) NAMPTCYP2D6CYP2C9CYP2C19
SCHEMBL15243541 0.84 NAMPT (1.00) NAMPT
SCHEMBL16858031 0.82 NAMPT (1.00) NAMPT
SCHEMBL16858035 0.82 NAMPT (1.00) NAMPT
SCHEMBL16820377 0.82 NAMPT (1.00) NAMPTCYP2C9CYP2C19
SCHEMBL16858107 0.82 NAMPT (0.82) NAMPTCYP2C9CYP2C19
SCHEMBL16858044 0.79 NAMPT (1.00) NAMPTCYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2820017-B1 PYRIDINYL AND PYRIMIDINYL SULFOXIDE AND SULFONE DERIVATIVES GENENTECH INC (US) 2016-12-21 — — EP claimed
EP-2820017-B1 PYRIDINYL AND PYRIMIDINYL SULFOXIDE AND SULFONE DERIVATIVES GENENTECH INC (US) 2016-12-21 — — EP disclosed
EP-2820017-B1 PYRIDINYL AND PYRIMIDINYL SULFOXIDE AND SULFONE DERIVATIVES GENENTECH INC (US) 2016-12-21 — — EP disclosed
US-20160355514-A1 PYRIDINYL AND PYRIMIDINYL SULFOXIDE AND SULFONE DERIVATIVES VALO EARLY DISCOVERY, INC. 2016-12-08 — — US disclosed
US-20160355514-A1 PYRIDINYL AND PYRIMIDINYL SULFOXIDE AND SULFONE DERIVATIVES VALO EARLY DISCOVERY, INC. 2016-12-08 — — US disclosed
US-20160355514-A1 PYRIDINYL AND PYRIMIDINYL SULFOXIDE AND SULFONE DERIVATIVES VALO EARLY DISCOVERY, INC. 2016-12-08 — — US disclosed
US-9458172-B2 Pyridinyl and pyrimidinyl sulfoxide and sulfone derivatives VALO HEALTH, INC. 2016-10-04 — — US disclosed
US-9458172-B2 Pyridinyl and pyrimidinyl sulfoxide and sulfone derivatives VALO HEALTH, INC. 2016-10-04 — — US disclosed
US-9458172-B2 Pyridinyl and pyrimidinyl sulfoxide and sulfone derivatives VALO HEALTH, INC. 2016-10-04 — — US disclosed
US-20150175621-A1 PYRIDINYL AND PYRIMIDINYL SULFOXIDE AND SULFONE DERIVATIVES Valo Health, LLC 2015-06-25 — — US disclosed
US-20150175621-A1 PYRIDINYL AND PYRIMIDINYL SULFOXIDE AND SULFONE DERIVATIVES Valo Health, LLC 2015-06-25 — — US disclosed
US-20150175621-A1 PYRIDINYL AND PYRIMIDINYL SULFOXIDE AND SULFONE DERIVATIVES Valo Health, LLC 2015-06-25 — — 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 (2 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-20160355514-A1 PYRIDINYL AND PYRIMIDINYL SULFOXIDE AND SULFONE DERIVATIVES TPMT, TYMS, TYMP NAMPT 82/4885CYP2D6 264/4885CYP2C9 649/4885
US-20150175621-A1 PYRIDINYL AND PYRIMIDINYL SULFOXIDE AND SULFONE DERIVATIVES TPMT, TYMS, TYMP NAMPT 82/4885CYP2D6 264/4885CYP2C9 649/4885

“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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