SCHEMBL955281

SCHEMBL955281

Oc1cc(COc2c(F)c(F)cc(F)c2F)nc2nc(Cc3ccccc3)nn12

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
CXCR2 P25025 1/20 0.41
ALDH1A1 P00352 3/20 0.40
POLB P06746 1/20 0.37
MAPT P10636 2/20 0.36
FFAR1 O14842 1/20 0.35
TP53 P04637 2/20 0.35
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
GRM5 P41594 1/20 0.33
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL3367914 0.74 CXCR2 (0.69) TSHRCXCR2ALDH1A1POLB
SCHEMBL3368711 0.74 CXCR2 (0.56) TSHRCXCR2ALDH1A1POLBMAPT
SCHEMBL3367797 0.73 CXCR2 (0.53) TSHRCXCR2ALDH1A1POLBTP53
SCHEMBL3368363 0.72 TSHR (0.50) TSHRCXCR2ALDH1A1POLBMAPT
SCHEMBL3367911 0.72 TSHR (0.42) TSHRCXCR2ALDH1A1POLBMAPT
SCHEMBL3368708 0.71 TSHR (0.44) TSHRCXCR2ALDH1A1POLBTP53
SCHEMBL3368026 0.71 CXCR2 (0.50) TSHRCXCR2ALDH1A1POLBMAPT
SCHEMBL3367792 0.70 TSHR (0.43) TSHRCXCR2ALDH1A1POLBTP53
SCHEMBL956589 0.70 FFAR1 (0.37) TSHRCXCR2ALDH1A1POLBMAPT
SCHEMBL3367935 0.70 TSHR (0.44) TSHRCXCR2ALDH1A1MAPTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009429-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF CXCR2 NOVARTIS AG (CH) 2011-01-13 US disclosed
EP-2257552-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF CXCR2 Novartis AG (CH) 2010-12-08 EP disclosed
WO-2009106539-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF CXCR2 NOVARTIS AG (CH) 2009-09-03 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-20110009429-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF CXCR2 CXCR2, CXCR1, CXCR3 TSHR 1428/4885CXCR2 1/4885ALDH1A1 1082/4885

“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.