SCHEMBL16858027

SCHEMBL16858027

O=C(NCc1ccc(S(=O)(=O)c2cccc(C(F)(F)F)c2)cn1)c1cnc2[nH]ncc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 20/20 1.00
CYP3A4 P08684 1/20 0.80
CYP2C9 P11712 1/20 0.80
CYP2C19 P33261 1/20 0.80

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
SCHEMBL16820370 0.89 NAMPT (1.00) NAMPTCYP3A4CYP2C9CYP2C19
SCHEMBL174048 0.89 NAMPT (1.00) NAMPTCYP3A4CYP2C9CYP2C19
SCHEMBL29478199 0.89 NAMPT (1.00) NAMPTCYP3A4CYP2C9CYP2C19
SCHEMBL29478197 0.89 NAMPT (1.00) NAMPTCYP3A4CYP2C9CYP2C19
SCHEMBL15243565 0.89 NAMPT (1.00) NAMPTCYP3A4CYP2C9CYP2C19
SCHEMBL16858016 0.87 NAMPT (1.00) NAMPTCYP3A4CYP2C9CYP2C19
SCHEMBL16820364 0.86 NAMPT (1.00) NAMPT
SCHEMBL16858071 0.85 NAMPT (0.88) NAMPTCYP3A4CYP2C9CYP2C19
SCHEMBL16858047 0.85 NAMPT (1.00) NAMPT
SCHEMBL16858092 0.85 NAMPT (0.85) NAMPT

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 7 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 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-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 82/4885CYP3A4 598/4885CYP2C9 649/4885
US-20150175621-A1 PYRIDINYL AND PYRIMIDINYL SULFOXIDE AND SULFONE DERIVATIVES TPMT, TYMS, TYMP NAMPT 82/4885CYP3A4 598/4885CYP2C9 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.