SCHEMBL4815422

SCHEMBL4815422

[CH2]C(=O)c1cnc2ccccc2c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.71
CFTR P13569 1/20 0.55
KDR P35968 1/20 0.51
TOP2A P11388 2/20 0.51
TOP2B Q02880 2/20 0.51
BCAT1 P54687 1/20 0.51
MAP4K4 O95819 1/20 0.49
CSNK1G2 P78368 1/20 0.49
CLK4 Q9HAZ1 1/20 0.49
MKNK2 Q9HBH9 1/20 0.49
MAP4K5 Q9Y4K4 1/20 0.49
RAB9A P51151 4/20 0.49
CYP1A2 P05177 1/20 0.48
NPC1 O15118 3/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGDS O60760 1/20 0.47
KDM4E B2RXH2 2/20 0.47
MITF O75030 1/20 0.47
XBP1 P17861 1/20 0.47
PAX8 Q06710 1/20 0.47

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
SCHEMBL29362497 0.85 MGAM (0.71) MGAMCFTRKDRTOP2ATOP2B
SCHEMBL23372 0.85 MGAM (0.71) MGAMCFTRKDRTOP2ATOP2B
SCHEMBL7371232 0.85 MGAM (0.76) MGAMCFTRKDRTOP2ATOP2B
Formaldehyde SCHEMBL28117649 0.84 MGAM (0.93) MGAMCFTRKDRTOP2ATOP2B
Hydrochloric Acid SCHEMBL28841803 0.84 MGAM (0.69) MGAMCFTRKDRTOP2ATOP2B
Hydrochloric Acid SCHEMBL28129921 0.84 MGAM (0.69) MGAMCFTRKDRTOP2ATOP2B
Hydrochloric Acid SCHEMBL5311903 0.84 MGAM (0.69) MGAMCFTRKDRTOP2ATOP2B
Fluoride SCHEMBL28234122 0.84 MGAM (0.69) MGAMCFTRKDRTOP2ATOP2B
SCHEMBL27583240 0.84 MGAM (0.69) MGAMCFTRKDRTOP2ATOP2B
SCHEMBL4816887 0.83 MGAM (0.73) MGAMCFTRKDRTOP2ATOP2B

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
EP-1740579-B1 TRICYCLIC PYRAZOLE KINASE INHIBITORS ABBVIE INC (US) 2015-08-19 EP disclosed
US-7468371-B2 Tricyclic pyrazole kinase inhibitors ABBOTT LABORATORIES INC. (US) 2008-12-23 US disclosed
EP-1740579-A1 TRICYCLIC PYRAZOLE KINASE INHIBITORS Abbott Laboratories (US) 2007-01-10 EP disclosed
US-20060014816-A1 Tricyclic pyrazole kinase inhibitors ABBVIE INC. 2006-01-19 US disclosed
WO-2005095387-A1 TRICYCLIC PYRAZOLE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2005-10-13 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-20060014816-A1 Tricyclic pyrazole kinase inhibitors PRKDC, PRKACA, PIK3C3 MGAM 4256/4885CFTR 4706/4885KDR 666/4885

“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.