SCHEMBL4899003

SCHEMBL4899003

Nc1ncnc2c1sc1nc(-c3ccccc3)cc(-c3ccco3)c12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.59
MAPT P10636 2/20 0.59
KMT2A Q03164 2/20 0.59
KDM4E B2RXH2 1/20 0.59
USP2 O75604 1/20 0.59
POLB P06746 1/20 0.59
ALOX15 P16050 1/20 0.59
CASP1 P29466 1/20 0.59
RECQL P46063 1/20 0.59
BLM P54132 1/20 0.59
CASP7 P55210 1/20 0.59
HSD17B10 Q99714 1/20 0.59
TLR9 Q9NR96 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
LIMK1 P53667 8/20 0.58
EEF2K O00418 2/20 0.53
ADORA2A P29274 3/20 0.48
ADORA1 P30542 3/20 0.48
ADORA2B P29275 1/20 0.48
ADORA3 P0DMS8 2/20 0.47

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
SCHEMBL4899938 0.86 LIMK1 (0.66) MEN1MAPTKMT2AKDM4EPOLB
SCHEMBL4899880 0.82 KDM4E (0.62) MEN1MAPTKMT2AKDM4EPOLB
SCHEMBL4900157 0.80 HPGD (0.62) MAPTKMT2AKDM4EPOLBLIMK1
SCHEMBL259291 0.79 CDC7 (0.66) MEN1MAPTKMT2AKDM4EUSP2
SCHEMBL4902783 0.77 PPARG (0.64) KMT2AKDM4EPOLBLIMK1CDC7
SCHEMBL12969725 0.77 LIMK1 (0.51) MAPTLIMK1EEF2KCDC7DBF4
SCHEMBL4903351 0.76 CDC7 (0.64) MEN1MAPTKMT2APOLBL3MBTL1
SCHEMBL4894356 0.75 HPGD (0.58) MEN1MAPTKMT2AKDM4EPOLB
SCHEMBL4905558 0.75 CDC7 (0.66) MAPTKDM4EUSP2HSD17B10L3MBTL1
SCHEMBL26458908 0.74 MAPT (1.00) MEN1MAPTKMT2AKDM4EUSP2

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-20080008720-A1 Substituted Tricyclic Heterocycles and their Uses CYWIN CHARLES L 2008-01-10 US disclosed
US-7291733-B2 Substituted tricyclic heterocycles and their uses BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-11-06 US disclosed
US-20050101601-A1 Substituted tricyclic heterocycles and their uses BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-05-12 US 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-20050101601-A1 Substituted tricyclic heterocycles and their uses LTC4S, NQO1, CBR3 MEN1 3677/4885MAPT 4573/4885KMT2A 4239/4885
US-20080008720-A1 Substituted Tricyclic Heterocycles and their Uses LTC4S, NQO1, CBR3 MEN1 3677/4885MAPT 4573/4885KMT2A 4239/4885

“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.