SCHEMBL169529

SCHEMBL169529

CCOc1cnc2cccnc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
KDM4E B2RXH2 2/20 0.47
NPC1 O15118 1/20 0.47
KMT2A Q03164 5/20 0.43
MEN1 O00255 3/20 0.43
ALDH1A1 P00352 2/20 0.43
POLB P06746 2/20 0.42
CYP19A1 P11511 1/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
RAB9A P51151 2/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NQO1 P15559 1/20 0.40
LMNA P02545 2/20 0.39
SYK P43405 1/20 0.39
TP53 P04637 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
PDE10A Q9Y233 1/20 0.39
CYP3A4 P08684 1/20 0.38

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
SCHEMBL619994 0.81 NPC1 (0.47) KDM4ENPC1KMT2AMEN1ALDH1A1
SCHEMBL29108823 0.81 ALDH1A1 (0.41) MAPTKDM4ENPC1KMT2AMEN1
SCHEMBL19251365 0.79 PDE10A (0.35) MAPTKDM4ENPC1ALDH1A1POLB
SCHEMBL28042557 0.78 CYP3A4 (0.63) MAPTNPC1RAB9AGAASMN1; SMN2
SCHEMBL12458300 0.77 RIPK1 (0.41) MAPTKDM4ENPC1KMT2AMEN1
SCHEMBL621960 0.77 KMT2A (0.58) MAPTKDM4ENPC1KMT2AMEN1
SCHEMBL22752279 0.77 KDM4E (0.33) MAPTKDM4ENPC1KMT2AMEN1
SCHEMBL13302131 0.76 RAB9A (0.55) MAPTKDM4ENPC1KMT2AALDH1A1
SCHEMBL4215653 0.75 CYP3A4 (0.64) MAPTKDM4ENPC1KMT2AMEN1
SCHEMBL30181876 0.75 CYP3A4 (0.64) MAPTKDM4ENPC1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9732083-B2 Tricyclic gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-15 US disclosed
US-20150246934-A1 TRICYCLIC GYRASE INHIBITORS MERCK SHARP & DOHME LLC 2015-09-03 US disclosed
US-8461083-B2 Herbicidal compounds SYNGENTA LIMITED (GB) 2013-06-11 US disclosed
US-20120238751-A1 TRICYCLIC GYRASE INHIBITORS TRIUS THERAPEUTICS, INC. (US) 2012-09-20 US disclosed
EP-2265120-B1 HERBICIDAL COUMPOUNDS SYNGENTA LTD (GB) 2012-03-07 EP disclosed
US-20110021352-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2011-01-27 US disclosed
EP-2265120-A1 HERBICIDAL COUMPOUNDS Syngenta Limited (GB) 2010-12-29 EP disclosed
WO-2009115788-A1 HERBICIDAL COUMPOUNDS SYNGENTA LIMITED (GB) 2009-09-24 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-20120238751-A1 TRICYCLIC GYRASE INHIBITORS TOP1, TOP2A, TOP2B MAPT 2765/4885KDM4E 2371/4885NPC1 1885/4885
US-20150246934-A1 TRICYCLIC GYRASE INHIBITORS TOP1, TOP2A, TOP2B MAPT 2972/4885KDM4E 2335/4885NPC1 1992/4885
US-20110021352-A1 HERBICIDAL COMPOUNDS RDX, NQO2, DDT MAPT 4399/4885KDM4E 1231/4885NPC1 3417/4885

“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.