SCHEMBL3339890

SCHEMBL3339890

CSc1nn2c(O)cc(C(S)c3cccc(F)c3F)nc2c1C#N

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 2/20 0.39
KMT2A Q03164 2/20 0.32
DYRK1A Q13627 2/20 0.32
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
THRB P10828 1/20 0.31
PKM P14618 1/20 0.31
HPGD P15428 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
CXCR2 P25025 1/20 0.30

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
SCHEMBL3344951 0.87 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2KDM4EKMT2ADYRK1A
SCHEMBL3371497 0.76 KDM4E (0.36) ALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL3337240 0.75 KDM4E (0.37) KDM4ETHRB
SCHEMBL3339893 0.74 CXCR2 (0.49) ALDH1A1SMN1; SMN2KDM4EKMT2AMEN1
SCHEMBL3341630 0.74 CTSA (0.33)
SCHEMBL3367417 0.73 L3MBTL1 (0.34) ALDH1A1SMN1; SMN2KMT2AMEN1L3MBTL1
SCHEMBL2638146 0.73 KDM4E (0.31) ALDH1A1KDM4EHPGDCXCR2
SCHEMBL3340198 0.73 ACHE (0.31)
SCHEMBL3344941 0.72 MEN1 (0.30) KMT2AMEN1
SCHEMBL3367399 0.71 TRPV1 (0.30)

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 6 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
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

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 ALDH1A1 931/4885SMN1; SMN2 4573/4885KDM4E 4638/4885

“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.