SCHEMBL956740

SCHEMBL956740

Nc1nc2nc(CCc3ccccc3F)cc(O)n2n1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.38
KDM4E B2RXH2 7/20 0.38
ADCY10 Q96PN6 1/20 0.37
CXCR2 P25025 1/20 0.37
ALDH1A1 P00352 7/20 0.36
GAA P10253 3/20 0.36
HPGD P15428 1/20 0.36
GLA P06280 2/20 0.36
PKM P14618 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
DAO P14920 1/20 0.35
HSP90AB1 P08238 2/20 0.35
NR3C2 P08235 1/20 0.34
LMNA P02545 1/20 0.34
CASR P41180 1/20 0.34

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
SCHEMBL954380 0.76 RXFP1 (0.47) TAAR1KDM4ECXCR2ALDH1A1PKM
SCHEMBL958516 0.72 CXCR2 (0.54) CXCR2ALDH1A1MEN1KMT2A
SCHEMBL25331349 0.71 KDM4E (0.37) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL19194473 0.71 KDM4E (0.39) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL956726 0.68 CXCR2 (0.53) CXCR2
SCHEMBL956581 0.67 CXCR2 (0.57) KDM4ECXCR2ALDH1A1MEN1KMT2A
SCHEMBL956304 0.67 CXCR2 (0.72) CXCR2
SCHEMBL956296 0.66 CXCR2 (0.56) CXCR2GAA
SCHEMBL954899 0.65 CXCR2 (0.54) CXCR2
SCHEMBL8526001 0.64 TAAR1 (0.75) TAAR1KDM4EALDH1A1HPGDDAO

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 TAAR1 1026/4885KDM4E 2176/4885ADCY10 1459/4885

“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.