SCHEMBL7214440

SCHEMBL7214440

CCCCCCNOC(=O)c1c[nH]c2ncccc2c1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 1/20 0.51
ADORA2A P29274 1/20 0.49
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CLEC4M Q9H2X3 1/20 0.42
MTNR1A P48039 1/20 0.41
KDM4E B2RXH2 2/20 0.40
KDM4A O75164 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRB2 P47870 1/20 0.40
CDK2 P24941 3/20 0.39
CDC7 O00311 2/20 0.39
ROCK2 O75116 2/20 0.39
PRKACA P17612 2/20 0.39
CLK4 Q9HAZ1 2/20 0.39
MAP4K4 O95819 1/20 0.39
PIM1 P11309 1/20 0.39
GSK3B P49841 1/20 0.39
HIPK2 Q9H2X6 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
SCHEMBL1665308 0.79 MEN1 (0.67) MAP2K1ADORA2AMEN1KMT2ACLEC4M
SCHEMBL28164021 0.78 MAP2K1 (0.81) MAP2K1ADORA2AMEN1KMT2AMTNR1A
SCHEMBL11883907 0.73 MAP2K1 (0.61) MAP2K1ADORA2AKMT2AMTNR1AKDM4E
SCHEMBL12496363 0.73 ADORA2A (0.73) MAP2K1ADORA2AMTNR1ACNR2
SCHEMBL2114977 0.71 ADORA2A (0.67) MAP2K1ADORA2AKMT2AMTNR1AKDM4E
SCHEMBL11640168 0.71 TSHR (0.57) KDM4EALDH1A1
SCHEMBL2638921 0.71 ADORA2A (0.70) MAP2K1ADORA2AKMT2AMTNR1ACNR2
SCHEMBL1820660 0.70 ADORA2A (0.61) MAP2K1ADORA2AKMT2AMTNR1AKDM4E
Hydrochloric Acid SCHEMBL10655021 0.70 ADORA2A (0.65) MAP2K1ADORA2AKMT2AMTNR1AKDM4E
SCHEMBL12729266 0.70 MAP2K1 (0.66) MAP2K1ADORA2AKMT2AMTNR1ACDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1305048-A2 INHIBITORS OF CELLULAR EFFLUX PUMPS OF MICROBES Wockhardt Limited (IN) 2003-05-02 EP disclosed
US-20020177559-A1 Quinolone derivatives WOCKHARDT LIMITED 2002-11-28 US disclosed
WO-2002009758-A2 INHIBITORS OF CELLULAR EFFLUX PUMPS OF MICROBES WOCKHARDT LIMITED (IN) 2002-02-07 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 (1 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-20020177559-A1 Quinolone derivatives ABCB11, ABCB1, ABCG2 MAP2K1 4011/4885ADORA2A 2869/4885MEN1 2581/4885

“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.