SCHEMBL14478

SCHEMBL14478

Cc1cc2cn(-c3ccc(CN)cc3)c(=O)nc2[nH]1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 5/20 0.37
HPGD P15428 3/20 0.34
MAPT P10636 2/20 0.34
HTT P42858 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
TNKS O95271 1/20 0.33
PARP1 P09874 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
PRKCI P41743 1/20 0.32
AKT2 P31751 1/20 0.32
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 3/20 0.32
MAP4K1 Q92918 1/20 0.32
GAA P10253 1/20 0.31
PKM P14618 1/20 0.31
DDB1 Q16531 1/20 0.31
CRBN Q96SW2 1/20 0.31
GFER P55789 1/20 0.31
NPC1 O15118 1/20 0.31

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
SCHEMBL12061882 0.86 MAPK14 (0.35) P2RX7HPGDPRKCIALDH1A1MPO
SCHEMBL17277292 0.86 PARP1 (0.38) P2RX7HPGDMAPTHTTPARP1
SCHEMBL20019743 0.85 ALDH1A1 (0.43) HPGDADORA2AADORA1KDM4EALDH1A1
SCHEMBL12075214 0.85 HCAR1 (0.35) MAPTTNKSPARP1TNKS2PRKCI
SCHEMBL17277274 0.85 P2RX7 (0.38) P2RX7HPGDMAPTHTTTNKS
SCHEMBL15787201 0.84 MC4R (0.39) P2RX7PARP1
SCHEMBL20019944 0.84 PARP1 (0.37) P2RX7HPGDMAPTHTTPARP1
SCHEMBL17277555 0.82 MAPT (0.52) MAPTKDM4EALDH1A1GAACRBN
SCHEMBL15787520 0.81 TDP1 (0.35) P2RX7HPGDADORA2AADORA1KDM4E
SCHEMBL15787231 0.81 TDP1 (0.35) P2RX7HPGDADORA2AADORA1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2488525-B1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MELINTA THERAPEUTICS INC (US) 2018-04-25 EP disclosed
EP-2697229-B1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MELINTA THERAPEUTICS INC (US) 2018-04-04 EP disclosed
US-20160031893-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2016-02-04 US disclosed
US-9221827-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-12-29 US disclosed
US-9193731-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-11-24 US disclosed
US-9193731-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-11-24 US disclosed
US-20140163049-A1 Antimicrobial Compounds and Methods of Making and Using the Same MELINTA THERAPEUTICS, INC. (US) 2014-06-12 US disclosed
US-20120220566-A1 Antimicrobial Compounds and Methods of Making and Using the Same RIB-X PHARMACEUTICALS, INC. (US) 2012-08-30 US disclosed
US-20120220566-A1 Antimicrobial Compounds and Methods of Making and Using the Same RIB-X PHARMACEUTICALS, INC. (US) 2012-08-30 US disclosed
WO-2011047319-A2 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME RIB-X PHARMACEUTICALS, INC. (US) 2011-04-21 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 (3 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-20140163049-A1 Antimicrobial Compounds and Methods of Making and Using the Same MPO, LPO, CAT P2RX7 2842/4885HPGD 360/4885MAPT 4371/4885
US-20120220566-A1 Antimicrobial Compounds and Methods of Making and Using the Same MPO, LPO, CAT P2RX7 2842/4885HPGD 360/4885MAPT 4371/4885
US-20160031893-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT P2RX7 2842/4885HPGD 360/4885MAPT 4371/4885

“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.