SCHEMBL6286800

SCHEMBL6286800

NC(=O)c1ccc2ncccn2c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.43
ADORA3 P0DMS8 1/20 0.41
ALDH1A1 P00352 7/20 0.39
HPGD P15428 5/20 0.39
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
TP53 P04637 1/20 0.39
PARP1 P09874 1/20 0.39
GAA P10253 3/20 0.39
GLA P06280 1/20 0.39
MKNK1 Q9BUB5 1/20 0.38
HTT P42858 2/20 0.38
PKM P14618 2/20 0.37
IRAK4 Q9NWZ3 1/20 0.36
LMNA P02545 2/20 0.36
HSD17B10 Q99714 2/20 0.36
TSHR P16473 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TGFBR1 P36897 1/20 0.36

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
SCHEMBL6347546 0.77 ALDH1A1 (0.58) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL6286262 0.74 BACE1 (0.41) KDM4EALDH1A1HPGDPARP1MKNK1
SCHEMBL4617203 0.71 IRAK4 (0.39) KDM4EALDH1A1HPGDNPC1SMN1; SMN2
SCHEMBL3250642 0.69 APOBEC3A (0.45) KDM4EADORA3ALDH1A1HPGDNPC1
SCHEMBL6333673 0.68 ALDH1A1 (0.42) KDM4EADORA3ALDH1A1HPGDNPC1
SCHEMBL5487220 0.67 ADORA3 (0.42) KDM4EADORA3ALDH1A1HPGDNPC1
SCHEMBL3326263 0.66 ADORA3 (0.71) KDM4EADORA3ALDH1A1HPGDNPC1
SCHEMBL30724570 0.66 ADORA3 (0.55) KDM4EADORA3ALDH1A1RAB9ASMN1; SMN2
SCHEMBL13474622 0.66 MKNK1 (0.45) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL11638950 0.66 GAA (0.46) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2

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 KDM4E 201/4885ADORA3 1871/4885ALDH1A1 779/4885
US-20020025960-A1 Heterocycle carboxamides as antiviral agents ZC3HAV1, ZC3HAV1L, HDAC1 KDM4E 201/4885ADORA3 1871/4885ALDH1A1 779/4885
US-20030207880-A1 Heterocycle carboxamides as antiviral agents ZC3HAV1, ZC3HAV1L, HDAC1 KDM4E 201/4885ADORA3 1871/4885ALDH1A1 779/4885

“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.