SCHEMBL5020194

SCHEMBL5020194

c1cc(-c2cnn[nH]2)c2[nH]ncc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 3/20 0.49
MAPT P10636 2/20 0.42
HSD17B10 Q99714 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
PLK4 O00444 1/20 0.42
CHEK1 O14757 1/20 0.42
AURKA O14965 1/20 0.42
DAPK3 O43293 1/20 0.42
MAP4K4 O95819 1/20 0.42
CSF1R P07333 1/20 0.42
RET P07949 1/20 0.42
FGFR1 P11362 1/20 0.42
PDGFRA P16234 1/20 0.42
LTK P29376 1/20 0.42
KDR P35968 1/20 0.42
MAP2K2 P36507 1/20 0.42
FLT3 P36888 1/20 0.42
CSNK1A1 P48729 1/20 0.42
PRKX P51817 1/20 0.42
CDK5 Q00535 1/20 0.42

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
SCHEMBL3064844 0.81 NOS1 (0.63) NOS1MAPTHSD17B10TDP1PLK4
SCHEMBL15288191 0.75 PLK4 (0.36) PLK4DAPK3PDGFRALTKMAP2K2
SCHEMBL4752843 0.73 NOS1 (0.53) NOS1MAPTHSD17B10TDP1PLK4
SCHEMBL30741485 0.71 NOS1 (0.47) NOS1MAPTHSD17B10TDP1PLK4
SCHEMBL5020179 0.71 RAB9A (0.44) MAPTHSD17B10KDM4EMEN1CYP1A2
SCHEMBL10651623 0.70 NOS1 (0.50) NOS1MAPTHSD17B10TDP1PLK4
SCHEMBL31722116 0.70 NOS1 (0.50) NOS1MAPTHSD17B10TDP1PLK4
SCHEMBL21324055 0.69 NOS1 (0.45) NOS1MAPTHSD17B10TDP1PLK4
SCHEMBL30175910 0.68 NOS1 (0.47) NOS1MAPTHSD17B10TDP1PLK4
SCHEMBL23641148 0.67 MEN1 (0.36) MAPTHSD17B10TDP1KDM4EMEN1

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
EP-3483147-A1 METALLOENZYME INHIBITOR COMPOUNDS Innocrin Pharmaceuticals, Inc. (US) 2019-05-15 EP disclosed
US-20180221364-A1 METALLOENZYME INHIBITOR COMPOUNDS INNOCRIN PHARMACEUTICALS, INC. 2018-08-09 US disclosed
US-20170143694-A1 METALLOENZYME INHIBITOR COMPOUNDS INNOCRIN PHARMACEUTICALS, INC. 2017-05-25 US disclosed
US-20140121248-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2014-05-01 US disclosed
US-8623892-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2014-01-07 US disclosed
US-20130184309-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2013-07-18 US disclosed
US-8389543-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2013-03-05 US disclosed
US-20120129886-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2012-05-24 US disclosed
WO-2012064943-A2 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2012-05-18 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 (5 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-20140121248-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO NOS1 1329/4885MAPT 2507/4885HSD17B10 535/4885
US-20180221364-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO NOS1 1329/4885MAPT 2507/4885HSD17B10 535/4885
US-20130184309-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO NOS1 1329/4885MAPT 2507/4885HSD17B10 535/4885
US-20170143694-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO NOS1 1329/4885MAPT 2507/4885HSD17B10 535/4885
US-20120129886-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO NOS1 1329/4885MAPT 2507/4885HSD17B10 535/4885

“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.