SCHEMBL6287499

SCHEMBL6287499

NC(=O)c1ncc2ccccn2c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.47
ALDH1A1 P00352 11/20 0.47
MAPT P10636 7/20 0.47
CHEK1 O14757 1/20 0.47
LIMK1 P53667 1/20 0.47
MAPK14 Q16539 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
RAB9A P51151 7/20 0.43
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
NPC1 O15118 3/20 0.43
MAPK1 P28482 2/20 0.43
HPGD P15428 6/20 0.41
EGLN1 Q9GZT9 1/20 0.41
HSD17B10 Q99714 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 1/20 0.39

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
SCHEMBL20455586 0.78 KDM4E (0.47) KDM4EALDH1A1MAPTCHEK1LIMK1
SCHEMBL6288545 0.72 LMNA (0.48) KDM4EALDH1A1MAPTTDP1RAB9A
SCHEMBL4617203 0.71 IRAK4 (0.39) KDM4EALDH1A1MAPTTDP1MEN1
SCHEMBL16473318 0.69 KDM4E (0.53) KDM4EALDH1A1MAPTCHEK1LIMK1
Trifluoroacetic Acid SCHEMBL2083723 0.69 KDM4E (0.49) KDM4EALDH1A1MAPTCHEK1LIMK1
SCHEMBL18152008 0.68 ALDH1A1 (0.47) KDM4EALDH1A1MAPTCHEK1LIMK1
SCHEMBL6347546 0.68 ALDH1A1 (0.58) KDM4EALDH1A1MAPTRAB9ANPC1
SCHEMBL23246964 0.67 KDM4E (0.55) KDM4EALDH1A1MAPTCHEK1LIMK1
SCHEMBL20674503 0.67 KDM4E (0.55) KDM4EALDH1A1MAPTCHEK1LIMK1
SCHEMBL334476 0.67 KDM4E (0.55) KDM4EALDH1A1MAPTCHEK1LIMK1

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 201/4885ALDH1A1 779/4885MAPT 4388/4885
US-20020025960-A1 Heterocycle carboxamides as antiviral agents ZC3HAV1, ZC3HAV1L, HDAC1 KDM4E 201/4885ALDH1A1 779/4885MAPT 4388/4885
US-20030207880-A1 Heterocycle carboxamides as antiviral agents ZC3HAV1, ZC3HAV1L, HDAC1 KDM4E 201/4885ALDH1A1 779/4885MAPT 4388/4885

“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.