SCHEMBL4902497

SCHEMBL4902497

Nc1nc(N)c2sc3nc(-c4cccs4)ccc3c2n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.53
KMT2A Q03164 6/20 0.53
RAB9A P51151 4/20 0.53
NPC1 O15118 4/20 0.53
POLB P06746 3/20 0.53
MAPT P10636 8/20 0.52
KDM4E B2RXH2 7/20 0.52
ALDH1A1 P00352 6/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
HPGD P15428 3/20 0.52
MCL1 Q07820 1/20 0.52
LIMK1 P53667 2/20 0.50
CLK1 P49759 2/20 0.45
USP2 O75604 2/20 0.44
CASP1 P29466 2/20 0.44
CASP7 P55210 2/20 0.44
RXFP1 Q9HBX9 5/20 0.43
TP53 P04637 1/20 0.43
HSD17B10 Q99714 3/20 0.43
TDP1 Q9NUW8 2/20 0.43

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
SCHEMBL12969724 0.87 LIMK1 (0.68) MEN1KMT2ARAB9ANPC1POLB
SCHEMBL4892520 0.82 LIMK1 (0.72) MEN1KMT2ARAB9ANPC1POLB
SCHEMBL4901399 0.80 KAT8 (0.52) MEN1KMT2ARAB9ANPC1POLB
SCHEMBL4901029 0.75 HPGD (0.60) MEN1KMT2APOLBMAPTKDM4E
SCHEMBL4899933 0.74 MAPT (0.63) MEN1KMT2APOLBMAPTKDM4E
SCHEMBL4903044 0.74 MAPT (0.70) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL4895355 0.73 MAPT (0.61) MEN1KMT2APOLBMAPTKDM4E
SCHEMBL4900837 0.73 KDM4E (0.61) MEN1KMT2APOLBMAPTKDM4E
Bromide SCHEMBL4901715 0.72 MAPT (0.60) MEN1KMT2APOLBMAPTKDM4E
SCHEMBL14955229 0.72 MEN1 (0.46) MEN1KMT2ARAB9ANPC1POLB

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 MEN1 3677/4885KMT2A 4239/4885RAB9A 3123/4885
US-20080008720-A1 Substituted Tricyclic Heterocycles and their Uses LTC4S, NQO1, CBR3 MEN1 3677/4885KMT2A 4239/4885RAB9A 3123/4885

“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.