SCHEMBL3344951

SCHEMBL3344951

Cc1nn2c(O)cc(C(S)c3cccc(F)c3F)nc2c1C#N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 4/20 0.40
HPGD P15428 2/20 0.40
NTRK1 P04629 4/20 0.34
PIM1 P11309 4/20 0.34
DYRK1A Q13627 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
MAPT P10636 2/20 0.33
GAA P10253 2/20 0.33
CXCR2 P25025 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
HSD17B10 Q99714 3/20 0.32
ALOX15 P16050 1/20 0.32
ACVR1 Q04771 3/20 0.32
KDM4D Q6B0I6 1/20 0.31
CYP1A2 P05177 1/20 0.31
HIF1A Q16665 1/20 0.31
PIK3CG P48736 1/20 0.30
MEN1 O00255 2/20 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
SCHEMBL3339890 0.87 ALDH1A1 (0.39) ALDH1A1KDM4EHPGDDYRK1ASMN1; SMN2
SCHEMBL3367417 0.78 L3MBTL1 (0.34) ALDH1A1SMN1; SMN2MAPTGAAHSD17B10
SCHEMBL3337240 0.78 KDM4E (0.37) KDM4EMAPTHSD17B10
SCHEMBL3340198 0.75 ACHE (0.31)
SCHEMBL3344941 0.74 MEN1 (0.30) MEN1KMT2A
SCHEMBL3367399 0.73 TRPV1 (0.30)
SCHEMBL3338639 0.73 PDE10A (0.33) PIM1
SCHEMBL3371497 0.72 KDM4E (0.36) ALDH1A1KDM4EHPGDSMN1; SMN2MAPT
SCHEMBL3368029 0.72 TP53 (0.34) CXCR2
SCHEMBL3344954 0.72 CXCR2 (0.51) ALDH1A1KDM4EHPGDCXCR2TDP1

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 931/4885KDM4E 4638/4885HPGD 172/4885

“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.