SCHEMBL4937535

SCHEMBL4937535

O=Cc1cc(Br)ccc1OCc1ccccn1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.52
CCR5 P51681 1/20 0.51
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
SYK P43405 6/20 0.44
AURKB Q96GD4 2/20 0.43
INCENP Q9NQS7 2/20 0.43
CA9 Q16790 1/20 0.43
ABCB1 P08183 1/20 0.42
HTR1A P08908 1/20 0.42
DRD2 P14416 1/20 0.42
PTPN1 P18031 1/20 0.41

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
SCHEMBL4937936 0.89 PTGDR2 (0.43) PTGDR2CCR5KDM4EALDH1A1SMN1; SMN2
SCHEMBL8038110 0.82 ALDH1A1 (0.59) PTGDR2KDM4EALDH1A1SMN1; SMN2SYK
SCHEMBL15474708 0.81 SYK (0.63) KDM4EALDH1A1SMN1; SMN2SYKAURKB
SCHEMBL29690396 0.80 PTGDR2 (0.61) PTGDR2CCR5ALDH1A1SMN1; SMN2PTPN1
SCHEMBL82269 0.80 PTGDR2 (0.61) PTGDR2CCR5ALDH1A1SMN1; SMN2PTPN1
SCHEMBL1406392 0.79 ALDH1A1 (0.48) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL29989288 0.78 SYK (0.57) CCR5KDM4EALDH1A1SMN1; SMN2KMT2A
SCHEMBL29195674 0.78 CCR5 (0.51) CCR5KDM4EALDH1A1SYKAURKB
SCHEMBL17385133 0.78 SYK (0.57) CCR5KDM4EALDH1A1SMN1; SMN2KMT2A
SCHEMBL15475096 0.78 TUBB1 (0.61) KDM4EALDH1A1SMN1; SMN2SYKAURKB

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-20080287399-A1 Substituted Aminopyridines and Uses Thereof ASTRAZENECA AB (SE) 2008-11-20 US disclosed
EP-1831170-A1 SUBSTITUTED AMINOPYRIDINES AND USES THEREOF AstraZeneca AB (SE) 2007-09-12 EP disclosed
WO-2006065204-A1 SUBSTITUTED AMINOPYRIDINES AND USES THEREOF ASTRAZENECA AB (SE) 2006-06-22 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-20080287399-A1 Substituted Aminopyridines and Uses Thereof PSEN2, SLC1A2, PSEN1 PTGDR2 1159/4885CCR5 3283/4885KDM4E 2474/4885

“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.