SCHEMBL3338701

SCHEMBL3338701

Cc1cc2nc(CSc3ccc(F)c(F)c3)cc(O)n2n1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 2/20 0.40
RAB9A P51151 6/20 0.36
NPC1 O15118 5/20 0.36
SMN1; SMN2 Q16637 5/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
MAPT P10636 3/20 0.36
KDM4E B2RXH2 6/20 0.36
MAOB P27338 1/20 0.34
ALDH1A1 P00352 3/20 0.34
RECQL P46063 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HSD17B10 Q99714 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL3339153 0.85 MAOB (0.39) CXCR2RAB9ANPC1SMN1; SMN2MEN1
SCHEMBL3339372 0.84 PTGDR2 (0.40) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL3344200 0.82 MAPT (0.43) CXCR2RAB9ANPC1SMN1; SMN2MEN1
SCHEMBL3338499 0.81 CXCR2 (0.39) CXCR2RAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL3341624 0.79 CXCR2 (0.50) CXCR2RAB9AMAOB
SCHEMBL3338709 0.74 KDM1A (0.38) CXCR2RAB9ANPC1SMN1; SMN2MEN1
SCHEMBL3368711 0.73 CXCR2 (0.56) CXCR2MAPTKDM4EALDH1A1POLB
SCHEMBL954380 0.71 RXFP1 (0.47) CXCR2SMN1; SMN2MAPTKDM4EALDH1A1
SCHEMBL956425 0.70 KDM4E (0.39) NPC1SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL3368026 0.70 CXCR2 (0.50) CXCR2RAB9AMAPTKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100152205-A1 CXCR2 INHIBITORS NOVARTIS AG 2010-06-17 US claimed
EP-2094697-A1 5-SULFANYLMETHYL-PYRAZOLO [1,5-A]PYRIMIDIN-7-OL DERIVATIVES AS CXCR2 ANTAGONISTS Novartis AG (CH) 2009-09-02 EP claimed
WO-2008062026-A1 5-SULFANYLMETHYL-PYRAZOLO [1,5-A] PYRIMIDIN-7-OL DERIVATIVES AS CXCR2 ANTAGONISTS NOVARTIS AG (CH) 2008-05-29 WO claimed
US-20100152205-A1 CXCR2 INHIBITORS NOVARTIS AG 2010-06-17 US disclosed
US-20100152205-A1 CXCR2 INHIBITORS NOVARTIS AG 2010-06-17 US disclosed
US-20100152205-A1 CXCR2 INHIBITORS NOVARTIS AG 2010-06-17 US disclosed
EP-2094697-A1 5-SULFANYLMETHYL-PYRAZOLO [1,5-A]PYRIMIDIN-7-OL DERIVATIVES AS CXCR2 ANTAGONISTS Novartis AG (CH) 2009-09-02 EP disclosed
WO-2008062026-A1 5-SULFANYLMETHYL-PYRAZOLO [1,5-A] PYRIMIDIN-7-OL DERIVATIVES AS CXCR2 ANTAGONISTS NOVARTIS AG (CH) 2008-05-29 WO disclosed
WO-2008062026-A1 5-SULFANYLMETHYL-PYRAZOLO [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-20100152205-A1 CXCR2 INHIBITORS CXCR2, CXCR1, CXCR3 CXCR2 1/4885RAB9A 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.