SCHEMBL3368009

SCHEMBL3368009

Oc1cc(CSc2ccc3ccccc3c2)nc2nc(Cc3ccccc3)nn12

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
CXCR2 P25025 5/20 0.44
ALDH1A1 P00352 2/20 0.44
TP53 P04637 2/20 0.36
ANPEP P15144 1/20 0.35
BACE1 P56817 2/20 0.35
KDM4E B2RXH2 1/20 0.34
MAPT P10636 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
SCHEMBL3368363 0.91 TSHR (0.50) TSHRCXCR2ALDH1A1TP53KDM4E
SCHEMBL3367935 0.89 TSHR (0.44) TSHRCXCR2ALDH1A1TP53BACE1
SCHEMBL3368711 0.89 CXCR2 (0.56) TSHRCXCR2ALDH1A1TP53KDM4E
SCHEMBL14216250 0.89 TSHR (0.58) TSHRCXCR2ALDH1A1TP53KDM4E
SCHEMBL3368375 0.88 TSHR (0.49) TSHRCXCR2ALDH1A1TP53KDM4E
SCHEMBL3367397 0.88 ALDH1A1 (0.46) TSHRCXCR2ALDH1A1TP53KDM4E
SCHEMBL3365614 0.86 ALDH1A1 (0.46) TSHRCXCR2ALDH1A1TP53KDM4E
SCHEMBL13114635 0.86 ALDH1A1 (0.46) TSHRCXCR2ALDH1A1KDM4EMAPT
SCHEMBL3368026 0.85 CXCR2 (0.50) TSHRCXCR2ALDH1A1TP53KDM4E
SCHEMBL3367663 0.84 CXCR2 (0.60) TSHRCXCR2ALDH1A1TP53

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 10 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
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

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 TSHR 2129/4885CXCR2 1/4885ALDH1A1 931/4885

“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.