SCHEMBL4899997

SCHEMBL4899997

Nc1nc(N)c2sc3nc(-c4ccccc4)cc(-c4ccccc4)c3c2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.50
KDM4E B2RXH2 7/20 0.50
ALDH1A1 P00352 5/20 0.50
HPGD P15428 5/20 0.50
LIMK1 P53667 3/20 0.50
NPSR1 Q6W5P4 2/20 0.50
TLR9 Q9NR96 1/20 0.50
HTR1A P08908 1/20 0.49
HTR2A P28223 1/20 0.49
HTR7 P34969 1/20 0.49
HTR6 P50406 1/20 0.49
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
TDP1 Q9NUW8 1/20 0.46
ADORA2A P29274 2/20 0.46
ADORA1 P30542 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.43
POLB P06746 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 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
SCHEMBL4901029 0.88 HPGD (0.60) MAPTKDM4EALDH1A1HPGDNPSR1
SCHEMBL4899938 0.85 LIMK1 (0.66) MAPTKDM4EALDH1A1HPGDLIMK1
SCHEMBL4893147 0.84 MAPT (0.66) MAPTKDM4EALDH1A1HPGDLIMK1
SCHEMBL4902352 0.82 MAPT (0.46) MAPTKDM4EALDH1A1HPGDLIMK1
SCHEMBL4899880 0.79 KDM4E (0.62) MAPTKDM4EALDH1A1HPGDLIMK1
SCHEMBL4900157 0.79 HPGD (0.62) MAPTKDM4EHPGDLIMK1NPSR1
SCHEMBL4892520 0.79 LIMK1 (0.72) MAPTKDM4EALDH1A1HPGDLIMK1
SCHEMBL4895355 0.78 MAPT (0.61) MAPTKDM4EALDH1A1HPGDNPSR1
SCHEMBL4900837 0.78 KDM4E (0.61) MAPTKDM4EALDH1A1HPGDNPSR1
SCHEMBL4901399 0.77 KAT8 (0.52) MAPTKDM4EALDH1A1HPGDLIMK1

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 5 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
EP-1673374-A2 SUBSTITUTED TRICYCLIC HETEROCYCLES AND THEIR USES BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2006-06-28 EP disclosed
US-20050101601-A1 Substituted tricyclic heterocycles and their uses BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-05-12 US disclosed
WO-2005035537-A2 SUBSTITUTED TRICYCLIC HETEROCYCLES AND THEIR USES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-04-21 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 (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 MAPT 4573/4885KDM4E 3715/4885ALDH1A1 270/4885
US-20080008720-A1 Substituted Tricyclic Heterocycles and their Uses LTC4S, NQO1, CBR3 MAPT 4573/4885KDM4E 3715/4885ALDH1A1 270/4885

“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.