SCHEMBL4937634

SCHEMBL4937634

Nc1cccnc1N.O=Cc1cc(Br)ccc1OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.51
MAPK14 Q16539 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
HTT P42858 2/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
CCR5 P51681 6/20 0.50
PTPN1 P18031 1/20 0.47
PTGDR2 Q9Y5Y4 1/20 0.47
LMNA P02545 2/20 0.47
USP2 O75604 1/20 0.47
PTP4A3 O75365 1/20 0.46
ALDH1A1 P00352 1/20 0.44
PTGER1 P34995 1/20 0.43
MAPT P10636 1/20 0.43
LRRK2 Q5S007 2/20 0.43
USP28 Q96RU2 1/20 0.41
USP25 Q9UHP3 1/20 0.41
POLB P06746 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 0.88 PTGDR2 (0.43) LTA4HMAPK14SMN1; SMN2HTTNPC1
SCHEMBL82269 0.85 PTGDR2 (0.61) SMN1; SMN2HTTNPC1RAB9ACCR5
SCHEMBL29690396 0.85 PTGDR2 (0.61) SMN1; SMN2HTTNPC1RAB9ACCR5
SCHEMBL4939377 0.78 LRRK2 (0.50) SMN1; SMN2HTTCCR5PTPN1PTGDR2
SCHEMBL4938043 0.78 PTGDR2 (0.55) SMN1; SMN2HTTNPC1RAB9ACCR5
SCHEMBL4937535 0.75 PTGDR2 (0.52) SMN1; SMN2CCR5PTPN1PTGDR2ALDH1A1
SCHEMBL4427861 0.75 CCR5 (0.50) SMN1; SMN2HTTNPC1RAB9ACCR5
SCHEMBL8730471 0.73 PTGDR2 (0.60) SMN1; SMN2HTTCCR5PTPN1PTGDR2
SCHEMBL12018748 0.73 CDK4 (0.71) SMN1; SMN2HTTNPC1RAB9ACCR5
SCHEMBL3713861 0.73 CCR5 (0.54) LTA4HMAPK14SMN1; SMN2HTTNPC1

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 LTA4H 1470/4885MAPK14 1589/4885SMN1; SMN2 103/4885

“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.