SCHEMBL5116848

SCHEMBL5116848

O=C(O)c1cnc2c(c1)nc(-c1ccccn1)n2-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
POLB P06746 1/20 0.46
PABPC1 P11940 1/20 0.46
KDM4E B2RXH2 1/20 0.45
KDM6B O15054 1/20 0.45
KDM4A O75164 1/20 0.45
KDM5C P41229 1/20 0.45
KDM4C Q9H3R0 1/20 0.45
KDM2A Q9Y2K7 1/20 0.45
KDM3A Q9Y4C1 1/20 0.45
HSD17B10 Q99714 1/20 0.44
CTSD P07339 2/20 0.44
AKT1 P31749 7/20 0.43
AKT2 P31751 5/20 0.43
MGAM O43451 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
METAP1 P53582 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL13600234 0.82 MEN1 (0.66) MEN1KMT2APOLBPABPC1CTSD
SCHEMBL6668322 0.81 ALDH1A1 (0.47) MEN1KMT2AHSD17B10AKT1AKT2
SCHEMBL791584 0.80 CYP1A2 (0.47) HSD17B10L3MBTL1
SCHEMBL4125775 0.72 AKT1 (0.38) HSD17B10AKT1AKT2MGAMAKT3
SCHEMBL13173574 0.71 PDE4B (0.43) KDM4ECTSDAKT1AKT2METAP1
SCHEMBL13314065 0.70 ALDH1A1 (0.49) MEN1KMT2APOLBPABPC1AKT1
SCHEMBL13376084 0.70 HTT (0.56) MEN1KMT2AKDM4EHSD17B10CTSD
SCHEMBL13314063 0.70 AKT1 (0.52) MEN1KMT2APOLBPABPC1KDM4E
SCHEMBL29876885 0.70 CA12 (0.61) MEN1KMT2AKDM4EKDM6BKDM4A
SCHEMBL13600232 0.70 MEN1 (0.58) MEN1KMT2APOLBPABPC1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7439258-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD (CA) 2008-10-21 US disclosed
EP-1301487-B1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM CA LTD (CA) 2006-11-22 EP disclosed
US-6841566-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM, LTD. (CA) 2005-01-11 US disclosed
US-20040224955-A1 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2004-11-11 US disclosed
US-6794404-B2 BENZIMIDAZOLE DERIVATIVES BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2004-09-21 US disclosed
EP-1411928-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2004-04-28 EP disclosed
US-20030236251-A1 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2003-12-25 US disclosed
US-20030232816-A1 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2003-12-18 US disclosed
EP-1301487-A2 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2003-04-16 EP disclosed
WO-2003007945-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2003-01-30 WO disclosed
US-6479508-B1 INHIBITOR OF RNA DEPENDENT RNA POLYMERASE ACTIVITY OF THE ENZYME NS5B ENCODED BY HEPATITIS C VIRUS FOR TREATMENT AND PREVENTION OF HEPATITIS C INFECTIONS BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2002-11-12 US disclosed
US-6448281-B1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION; TREATMENT OF HEPATITIS C BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2002-09-10 US disclosed
US-20020065418-A1 Inhibitors of hepatitis C virus replication; treatment of hepatitis C BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2002-05-30 US disclosed
WO-2002004425-A2 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2002-01-17 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 (4 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-20030236251-A1 Viral polymerase inhibitors POLR2H, CTDSP1, POLR2E MEN1 4638/4885KMT2A 3632/4885POLB 58/4885
US-20030232816-A1 Viral polymerase inhibitors POLR2H, POLR2E, POLM MEN1 3289/4885KMT2A 3370/4885POLB 33/4885
US-20020065418-A1 Inhibitors of hepatitis C virus replication; treatment of hepatitis C HAVCR2, HCCS, ZC3HAV1 MEN1 3129/4885KMT2A 4303/4885POLB 1029/4885
US-20040224955-A1 Viral polymerase inhibitors POLR2H, POLR2E, POLM MEN1 3289/4885KMT2A 3370/4885POLB 33/4885

“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.