SCHEMBL6225844

SCHEMBL6225844

CC(=O)c1ccnc(-c2ccccc2F)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 5/20 0.58
NPC1 O15118 4/20 0.54
ALDH1A1 P00352 2/20 0.54
MAPT P10636 2/20 0.54
RAB9A P51151 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
CTSA P10619 1/20 0.52
ADORA3 P0DMS8 3/20 0.49
ADORA2A P29274 3/20 0.49
MEN1 O00255 1/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
KMT2A Q03164 1/20 0.48
RELA Q04206 1/20 0.48
EGFR P00533 2/20 0.44
KDM3A Q9Y4C1 2/20 0.44
KDM4A O75164 2/20 0.44
KDM4E B2RXH2 1/20 0.44
KDM6B O15054 1/20 0.44
KDM5C P41229 1/20 0.44

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
SCHEMBL4498726 0.86 KDM4C (0.64) KDM4CCTSAKDM3AKDM4AKDM4E
SCHEMBL14226704 0.84 CTSA (0.49) KDM4CNPC1ALDH1A1MAPTRAB9A
SCHEMBL14241075 0.84 ADORA2A (0.52) KDM4CNPC1ALDH1A1MAPTRAB9A
Bromide SCHEMBL6222773 0.80 CTSA (0.48) KDM4CNPC1CTSAADORA3ADORA2A
SCHEMBL12934615 0.79 KDM5C (0.55) KDM4CMEN1KMT2AKDM3AKDM4A
SCHEMBL17034444 0.77 ADORA2A (0.55) NPC1ALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL31085057 0.77 KDM4C (0.56) KDM4CNPC1ALDH1A1MAPTRAB9A
SCHEMBL8967233 0.77 KDM4E (0.72) KDM4CNPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL12311687 0.77 KDM4C (0.56) KDM4CNPC1ALDH1A1MAPTRAB9A
SCHEMBL6223694 0.75 KMO (0.54) NPC1ALDH1A1MAPTRAB9ASMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1572693-A1 MITOGEN ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 INHIBITING COMPOUNDS Pharmacia Corporation (US) 2005-09-14 EP disclosed
US-20040209897-A1 Mitogen activated protein kinase-activated protein kinase-2 inhibiting compounds PHARMACIA CORPORATION 2004-10-21 US disclosed
WO-2004058762-A1 MITOGEN ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 INHIBITING COMPOUNDS PHARMACIA CORPORATION (US) 2004-07-15 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-20040209897-A1 Mitogen activated protein kinase-activated protein kinase-2 inhibiting compounds MAPKAPK2, MAP3K2, MKNK2 KDM4C 3983/4885NPC1 3436/4885ALDH1A1 4638/4885

“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.