SCHEMBL3365665

SCHEMBL3365665

Cc1nc2nc(CSc3ccc(Cl)cc3)cc(O)n2n1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.55
RAB9A P51151 7/20 0.52
NPC1 O15118 6/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
KMT2A Q03164 4/20 0.52
TSHR P16473 2/20 0.47
MAPT P10636 7/20 0.47
MEN1 O00255 3/20 0.47
LMNA P02545 1/20 0.46
ALDH1A1 P00352 3/20 0.46
HPGD P15428 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
HSD17B10 Q99714 1/20 0.46
RECQL P46063 1/20 0.45
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL3367781 0.89 RAB9A (0.53) KDM4ERAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL13114635 0.78 ALDH1A1 (0.46) KDM4ERAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL120329 0.74 ALDH1A1 (0.58) KDM4ERAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL3367422 0.73 CXCR2 (0.55) SMN1; SMN2LMNAALDH1A1
SCHEMBL13437612 0.73 CXCR2 (0.48) KDM4ERAB9ANPC1SMN1; SMN2TSHR
SCHEMBL3368363 0.72 TSHR (0.50) KDM4ERAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL19194488 0.72 TP53 (0.40) KDM4ESMN1; SMN2MAPTLMNAALDH1A1
SCHEMBL9822135 0.72 TP53 (0.37) KDM4ESMN1; SMN2MAPTLMNAALDH1A1
SCHEMBL3368375 0.71 TSHR (0.49) KDM4ERAB9ATSHRMAPTALDH1A1
SCHEMBL3339372 0.71 PTGDR2 (0.40) KDM4ERAB9ANPC1SMN1; SMN2KMT2A

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
EP-2094267-A2 4-(1-AMINO-ETHYL)-CYCLOHEXYLAMINE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2009-09-02 EP 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-2008078305-A2 4-(1-AMINO-ETHYL)-CYCLOHEXYLAMINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-07-03 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 KDM4E 4638/4885RAB9A 1737/4885NPC1 787/4885

“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.