SCHEMBL3339372

SCHEMBL3339372

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

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.40
RAB9A P51151 8/20 0.39
NPC1 O15118 7/20 0.39
SMN1; SMN2 Q16637 5/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 3/20 0.39
MEN1 O00255 2/20 0.39
KDM4E B2RXH2 3/20 0.39
DAO P14920 1/20 0.38
MAOB P27338 1/20 0.35
DPP4 P27487 1/20 0.35
POLB P06746 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
SCHEMBL3344200 0.86 MAPT (0.43) RAB9ANPC1SMN1; SMN2KMT2AMAPT
SCHEMBL3338701 0.84 CXCR2 (0.40) RAB9ANPC1SMN1; SMN2KMT2AMAPT
SCHEMBL3339153 0.81 MAOB (0.39) RAB9ANPC1SMN1; SMN2KMT2AMAPT
SCHEMBL3338709 0.75 KDM1A (0.38) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL3338499 0.75 CXCR2 (0.39) RAB9ANPC1SMN1; SMN2KMT2AKDM4E
SCHEMBL956425 0.74 KDM4E (0.39) NPC1SMN1; SMN2KMT2AMEN1KDM4E
SCHEMBL3341624 0.73 CXCR2 (0.50) RAB9AMAOB
SCHEMBL3367397 0.73 ALDH1A1 (0.46) PTGDR2MAPTKDM4E
SCHEMBL958613 0.71 MRGPRX4 (0.50) RAB9ANPC1SMN1; SMN2DPP4
SCHEMBL3365665 0.71 KDM4E (0.55) RAB9ANPC1SMN1; SMN2KMT2AMAPT

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 PTGDR2 40/4885RAB9A 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.