SCHEMBL490047

SCHEMBL490047

COc1cccc(CSc2nc(O)cc(O)n2)c1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.44
ALDH1A1 P00352 2/20 0.41
MAPK1 P28482 2/20 0.41
CTSB P07858 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
METAP2 P50579 4/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
CXCR2 P25025 2/20 0.38
RAB9A P51151 2/20 0.38
KMT2A Q03164 2/20 0.38
CCR7 P32248 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37
NPC1 O15118 1/20 0.37
HPGD P15428 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL490206 0.84 ALPL (0.44) ALPLALDH1A1MAPK1CTSBHTR2A
SCHEMBL489739 0.82 SMN1; SMN2 (0.41) ALDH1A1MAPK1METAP2SMN1; SMN2CXCR2
SCHEMBL490245 0.81 CXCR2 (0.50) CXCR2CCR7
SCHEMBL489580 0.79 CXCR2 (0.50) MAPTLMNACXCR2KMT2ACCR7
SCHEMBL490136 0.77 KDM1A (0.38) CXCR2CCR7
SCHEMBL27605804 0.75 L3MBTL1 (0.46) ALPLALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL1487220 0.74 CXCR2 (0.38) CXCR2CCR7
SCHEMBL2899683 0.73 NPC1 (0.48) SMN1; SMN2CXCR2RAB9ACCR7NPC1
SCHEMBL27455200 0.73 HTR2A (0.46) ALPLALDH1A1HTR2AHTR2CMAPT
SCHEMBL1487154 0.71 CXCR2 (0.45) CXCR2CCR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1527051-B1 PYRIMIDYL SULPHONE AMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2012-09-12 EP disclosed
US-8106063-B2 Pyrimidyl sulphone amide derivatives as chemokine receptor modulators ASTRAZENECA AB (SE) 2012-01-31 US disclosed
US-20100063079-A1 Pyrimidyl Sulphone Amide Derivatives as Chemokine Receptor Modulators ASTRAZENECA AB (SE) 2010-03-11 US disclosed
US-7582644-B2 Pyrimidyl sulphone amide derivatives as chemokine receptor modulators ASTRAZENECA AB (SE) 2009-09-01 US disclosed
US-20060025432-A1 Pyrimidyl sulphone amide derivatives as chemokine receptor modulators ASTRAZENECA AB (SE) 2006-02-02 US disclosed
EP-1527051-A1 PYRIMIDYL SULPHONE AMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS Astrazeneca AB (SE) 2005-05-04 EP disclosed
WO-2004011443-A1 PYRIMIDYL SULPHONE AMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2004-02-05 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 (2 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-20100063079-A1 Pyrimidyl Sulphone Amide Derivatives as Chemokine Receptor Modulators ACKR3, GPR17, CCL11 ALPL 2275/4885ALDH1A1 2245/4885MAPK1 1498/4885
US-20060025432-A1 Pyrimidyl sulphone amide derivatives as chemokine receptor modulators ACKR3, GPR17, CCL11 ALPL 2275/4885ALDH1A1 2245/4885MAPK1 1498/4885

“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.