SCHEMBL4901029

SCHEMBL4901029

Nc1nc(N)c2sc3nc(-c4cccs4)cc(-c4ccccc4)c3c2n1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 19/20 0.60
KDM4E B2RXH2 2/20 0.59
MEN1 O00255 2/20 0.59
ALDH1A1 P00352 2/20 0.59
MAPT P10636 2/20 0.59
KMT2A Q03164 2/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
POLB P06746 1/20 0.58
ALOX15 P16050 1/20 0.58
TSHR P16473 1/20 0.58
MAPK1 P28482 1/20 0.58
CASP1 P29466 1/20 0.58
CASP7 P55210 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
HSD17B10 Q99714 1/20 0.58
RXFP1 Q9HBX9 1/20 0.58
ADORA2A P29274 1/20 0.51
ADORA1 P30542 1/20 0.51

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
SCHEMBL4901399 0.92 KAT8 (0.52) HPGDKDM4EMEN1ALDH1A1MAPT
SCHEMBL4895355 0.90 MAPT (0.61) HPGDKDM4EMEN1ALDH1A1MAPT
SCHEMBL4900837 0.90 KDM4E (0.61) HPGDKDM4EMEN1ALDH1A1MAPT
Bromide SCHEMBL4901715 0.89 MAPT (0.60) HPGDKDM4EMEN1ALDH1A1MAPT
SCHEMBL4894356 0.89 HPGD (0.58) HPGDKDM4EMEN1ALDH1A1MAPT
SCHEMBL4899997 0.88 MAPT (0.50) HPGDKDM4EMEN1ALDH1A1MAPT
SCHEMBL4899933 0.81 MAPT (0.63) HPGDKDM4EMEN1ALDH1A1MAPT
SCHEMBL4902489 0.79 KDM4E (0.59) HPGDKDM4EMEN1ALDH1A1MAPT
SCHEMBL22939512 0.77 HPGD (0.69) HPGDKDM4EMEN1ALDH1A1MAPT
SCHEMBL19416785 0.75 HPGD (0.67) HPGDKDM4EMEN1ALDH1A1MAPT

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 HPGD 53/4885KDM4E 3715/4885MEN1 3677/4885
US-20080008720-A1 Substituted Tricyclic Heterocycles and their Uses LTC4S, NQO1, CBR3 HPGD 53/4885KDM4E 3715/4885MEN1 3677/4885

“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.