SCHEMBL6286262

SCHEMBL6286262

NC(=O)c1cnc2ncccn2c1=O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.41
MKNK1 Q9BUB5 1/20 0.41
PKM P14618 6/20 0.39
IRAK4 Q9NWZ3 3/20 0.36
KDM4E B2RXH2 4/20 0.36
DYRK1A Q13627 2/20 0.36
CLK4 Q9HAZ1 2/20 0.36
CHEK1 O14757 1/20 0.36
LIMK1 P53667 1/20 0.36
PARP1 P09874 1/20 0.36
HSD17B10 Q99714 2/20 0.35
MAP2K1 Q02750 1/20 0.35
DYRK1B Q9Y463 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
MAPT P10636 1/20 0.34

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
SCHEMBL16678705 0.78 PKM (0.51) BACE1MKNK1PKM
SCHEMBL6347546 0.74 ALDH1A1 (0.58) PKMKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL6286800 0.74 KDM4E (0.43) MKNK1PKMIRAK4KDM4EPARP1
SCHEMBL6342051 0.72 MAP2K1 (0.38) MKNK1PKMKDM4ECLK4HSD17B10
SCHEMBL13474622 0.72 MKNK1 (0.45) MKNK1KDM4EHSD17B10ALDH1A1HPGD
SCHEMBL2263088 0.71 PKM (0.42) BACE1PKMKDM4EDYRK1AHSD17B10
SCHEMBL6333673 0.71 ALDH1A1 (0.42) MKNK1PKMKDM4EDYRK1ACLK4
SCHEMBL2814544 0.69 PKM (0.52) BACE1PKMKDM4EDYRK1AALDH1A1
SCHEMBL11403967 0.69 CHEK1 (0.73) PKMKDM4EDYRK1ACLK4CHEK1
SCHEMBL1204130 0.68 PKM (0.52) BACE1PKMKDM4EDYRK1AHSD17B10

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-6903097-B2 Heterocycle carboxamides as antiviral agents PHARMACIA & UPJOHN COMPANY (US) 2005-06-07 US disclosed
US-20040142928-A1 Heterocycle carboxamides as antiviral agents BUNDY GORDON L (US) 2004-07-22 US disclosed
US-20030207880-A1 Heterocycle carboxamides as antiviral agents BUNDY GORDON L (US) 2003-11-06 US disclosed
US-6559145-B2 Herpes virus PHARMACIA & UPJOHN COMPANY 2003-05-06 US disclosed
US-20020025960-A1 Heterocycle carboxamides as antiviral agents PHARMACIA & UPJOHN COMPANY 2002-02-28 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 (3 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-20040142928-A1 Heterocycle carboxamides as antiviral agents ZC3HAV1, ZC3HAV1L, HDAC1 BACE1 3496/4885MKNK1 2020/4885PKM 2758/4885
US-20020025960-A1 Heterocycle carboxamides as antiviral agents ZC3HAV1, ZC3HAV1L, HDAC1 BACE1 3496/4885MKNK1 2020/4885PKM 2758/4885
US-20030207880-A1 Heterocycle carboxamides as antiviral agents ZC3HAV1, ZC3HAV1L, HDAC1 BACE1 3496/4885MKNK1 2020/4885PKM 2758/4885

“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.