SCHEMBL3367663

SCHEMBL3367663

Oc1cc(CSc2cccc(OC(F)(F)F)c2)nc2nc(Cc3ccccc3)nn12

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 5/20 0.60
TSHR P16473 1/20 0.40
DYRK1A Q13627 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPK14 Q16539 1/20 0.35
NOTUM Q6P988 1/20 0.35
CETP P11597 2/20 0.34
TP53 P04637 1/20 0.34
TRPC5 Q9UL62 1/20 0.34
ADK P55263 1/20 0.34

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
SCHEMBL3365649 0.86 CXCR2 (0.45) CXCR2TSHRALDH1A1
SCHEMBL3368363 0.85 TSHR (0.50) CXCR2TSHRALDH1A1TP53
SCHEMBL3367935 0.84 TSHR (0.44) CXCR2TSHRALDH1A1TP53
SCHEMBL3368009 0.84 TSHR (0.46) CXCR2TSHRALDH1A1TP53
SCHEMBL3368711 0.82 CXCR2 (0.56) CXCR2TSHRALDH1A1TP53
SCHEMBL3365614 0.79 ALDH1A1 (0.46) CXCR2TSHRALDH1A1TP53
SCHEMBL3368375 0.79 TSHR (0.49) CXCR2TSHRALDH1A1TP53
SCHEMBL3367397 0.79 ALDH1A1 (0.46) CXCR2TSHRALDH1A1TP53
SCHEMBL3368359 0.79 CXCR2 (0.59) CXCR2TSHRALDH1A1TP53
SCHEMBL3368026 0.78 CXCR2 (0.50) CXCR2TSHRALDH1A1TP53

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-2094696-B1 5-SULFANYLMETHYL-[1,2,4] TRIAZOL[1, 5-A] PYRIMIDIN-7-OL DERIVATIVES AS CXCR2 ANTAGONISTS NOVARTIS AG (CH) 2010-10-13 EP claimed
US-20100069407-A1 CXCR2 inhibitors PRESS NEIL JOHN 2010-03-18 US claimed
EP-2094696-A1 5-SULFANYLMETHYL-[1,2,4] TRIAZOL[1, 5-A] PYRIMIDIN-7-OL DERIVATIVES AS CXCR2 ANTAGONISTS Novartis AG (CH) 2009-09-02 EP claimed
WO-2008061741-A1 5-SULFANYLMETHYL-[1,2,4] TRIAZOL[1, 5-A] PYRIMIDIN-7-OL DERIVATIVES AS CXCR2 ANTAGONISTS NOVARTIS AG (CH) 2008-05-29 WO claimed
EP-2094696-B1 5-SULFANYLMETHYL-[1,2,4] TRIAZOL[1, 5-A] PYRIMIDIN-7-OL DERIVATIVES AS CXCR2 ANTAGONISTS NOVARTIS AG (CH) 2010-10-13 EP disclosed
EP-2094696-B1 5-SULFANYLMETHYL-[1,2,4] TRIAZOL[1, 5-A] PYRIMIDIN-7-OL DERIVATIVES AS CXCR2 ANTAGONISTS NOVARTIS AG (CH) 2010-10-13 EP disclosed
US-20100069407-A1 CXCR2 inhibitors PRESS NEIL JOHN 2010-03-18 US disclosed
US-20100069407-A1 CXCR2 inhibitors PRESS NEIL JOHN 2010-03-18 US disclosed
US-20100069407-A1 CXCR2 inhibitors PRESS NEIL JOHN 2010-03-18 US disclosed
EP-2094696-A1 5-SULFANYLMETHYL-[1,2,4] TRIAZOL[1, 5-A] PYRIMIDIN-7-OL DERIVATIVES AS CXCR2 ANTAGONISTS Novartis AG (CH) 2009-09-02 EP disclosed
WO-2008061741-A1 5-SULFANYLMETHYL-[1,2,4] TRIAZOL[1, 5-A] PYRIMIDIN-7-OL DERIVATIVES AS CXCR2 ANTAGONISTS NOVARTIS AG (CH) 2008-05-29 WO disclosed
WO-2008061741-A1 5-SULFANYLMETHYL-[1,2,4] TRIAZOL[1, 5-A] PYRIMIDIN-7-OL DERIVATIVES AS CXCR2 ANTAGONISTS NOVARTIS AG (CH) 2008-05-29 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-20100069407-A1 CXCR2 inhibitors CXCR2, CXCR1, CXCR3 CXCR2 1/4885TSHR 2129/4885DYRK1A 3923/4885

“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.