SCHEMBL1127141

SCHEMBL1127141

Cc1cc(C)nc(NCCNc2ccc(N)cc2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.45
NOS3 P29474 2/20 0.44
NOS2 P35228 2/20 0.44
MAPT P10636 2/20 0.44
NOS1 P29475 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.39
PDE4A P27815 1/20 0.38
AGO2 Q9UKV8 1/20 0.38
RAB9A P51151 3/20 0.38
CYP1A2 P05177 3/20 0.38
CYP3A4 P08684 2/20 0.38
NPC1 O15118 2/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP2C19 P33261 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NQO2 P16083 3/20 0.38
GBA1 P04062 1/20 0.38
MAPK1 P28482 1/20 0.38
MEN1 O00255 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL4813491 0.80 RAB9A (0.53) NOS3NOS2MAPTNOS1RAB9A
SCHEMBL1646711 0.80 MAPT (0.40) NOS3NOS2MAPTNOS1SMN1; SMN2
SCHEMBL1647682 0.79 NOS2 (0.39) TLR8NOS3NOS2NOS1
SCHEMBL941923 0.79 MAPT (0.53) MAPTSMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL1987466 0.77 F2 (0.40) NOS3NOS2MAPTNOS1SMN1; SMN2
SCHEMBL7797450 0.76 NOS3 (0.53) TLR8NOS3NOS2NOS1SMN1; SMN2
SCHEMBL1646712 0.76 NOS2 (0.41) NOS3NOS2MAPTNOS1SMN1; SMN2
SCHEMBL12963699 0.74 NOS3 (0.55) TLR8NOS3NOS2NOS1SMN1; SMN2
SCHEMBL180817 0.73 APP (0.55) MAPTRAB9ACYP1A2CYP3A4ALDH1A1
SCHEMBL23482212 0.73 GAA (0.56) TLR8NOS3NOS2CYP1A2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9452168-B2 Pyrrole antifungal agents F2G LTD (GB) 2016-09-27 US disclosed
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2015-08-27 US disclosed
US-8993574-B2 Pyrrole antifungal agents F2G LTD (GB) 2015-03-31 US disclosed
EP-2283006-B1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2015-02-25 EP disclosed
EP-2626361-B1 Pyrrole antifungal agents F2G LTD (GB) 2014-10-15 EP disclosed
EP-2626361-A1 Pyrrole antifungal agents F2G Limited (GB) 2013-08-14 EP disclosed
US-20110152285-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2011-06-23 US disclosed
EP-2283006-A1 PYRROLE ANTIFUNGAL AGENTS F2G Limited (GB) 2011-02-16 EP disclosed
WO-2009130481-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2009-10-29 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 (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-20110152285-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 TLR8 4560/4885NOS3 234/4885NOS2 372/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 TLR8 4560/4885NOS3 234/4885NOS2 372/4885

“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.