SCHEMBL1676493

SCHEMBL1676493

COc1ccc(-c2nc(-c3ccc(Cl)cc3Cl)c[nH]2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 2/20 0.47
DPP4 P27487 3/20 0.46
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
DPP8 Q6V1X1 2/20 0.44
DPP9 Q86TI2 2/20 0.44
AURKA O14965 1/20 0.44
AURKB Q96GD4 1/20 0.44
PIK3CA P42336 2/20 0.44
PIK3CB P42338 2/20 0.44
PIK3CG P48736 2/20 0.44
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
MARS1 P56192 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL28573837 0.87 SMN1; SMN2 (0.44) CXCR2DPP4PIK3CAPIK3CBPIK3CG
SCHEMBL7135272 0.83 PDGFRB (0.47) AURKAAURKBPIK3CAPIK3CBPIK3CG
SCHEMBL26464174 0.83 PDGFRB (0.47) AURKAAURKBPIK3CAPIK3CBPIK3CG
SCHEMBL1481452 0.82 DHODH (0.42) PIK3CAPIK3CBPIK3CGHSP90AA1HSP90AB1
SCHEMBL3135986 0.82 ALDH1A1 (0.47) CXCR2DPP4HSP90AA1HSP90AB1MEN1
SCHEMBL31305456 0.82 ALDH1A1 (0.47) CXCR2DPP4HSP90AA1HSP90AB1MEN1
SCHEMBL1482354 0.81 SMN1; SMN2 (0.56) HSP90AA1HSP90AB1MARS1MEN1KMT2A
SCHEMBL28406418 0.81 GCGR (0.43) PIK3CAPIK3CBPIK3CGHSP90AA1HSP90AB1
SCHEMBL1481070 0.80 MAPT (0.44) CXCR2DPP4CNR1CNR2DPP8
SCHEMBL1481066 0.80 MAPT (0.44) CXCR2DPP4CNR1CNR2DPP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110092553-A1 Substituted Azole Derivatives, Compositions, and Methods of Use TRANSTECH PHARMA, INC. (US) 2011-04-21 US disclosed
EP-1730118-A1 SUBSTITUTED AZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE Transtech Pharma, Inc. (US) 2006-12-13 EP disclosed
WO-2005080346-A1 SUBSTITUTED AZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE TRANSTECH PHARMA, INC. (US) 2005-09-01 WO disclosed
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use TRANSTECH PHARMA, INC. 2005-08-25 US 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-20110092553-A1 Substituted Azole Derivatives, Compositions, and Methods of Use PTPRO, PTPN5, PTPRE CXCR2 2502/4885DPP4 115/4885CNR1 3344/4885
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use PTPRO, PTPN5, PTPRE CXCR2 2502/4885DPP4 115/4885CNR1 3344/4885

“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.