SCHEMBL1429441

SCHEMBL1429441

Fc1ccc(F)c([Mg]Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA3 P07451 1/20 0.42
CA6 P23280 1/20 0.42
CA5A P35218 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
CES2 O00748 2/20 0.38
CES1 P23141 2/20 0.38
ALDH1A1 P00352 1/20 0.37
NFE2L2 Q16236 5/20 0.34
KDM1A O60341 2/20 0.33
KDM1B Q8NB78 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2A6 P11509 1/20 0.32
PSEN1 P49768 2/20 0.32
PSEN2 P49810 2/20 0.32
APH1B Q8WW43 2/20 0.32
NCSTN Q92542 2/20 0.32
APH1A Q96BI3 2/20 0.32
PSENEN Q9NZ42 2/20 0.32

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
SCHEMBL7813778 0.80 ALDH1A1 (0.42) CA3CA6CA5ACA9CA14
SCHEMBL30856173 0.78 CYP1A2 (0.31) CA3CA6CA5ACA9CA14
SCHEMBL1827509 0.75 CA3 (0.42) CA3CA6CA5ACA9CA14
SCHEMBL9987592 0.70
SCHEMBL29361912 0.70
SCHEMBL6986820 0.69
SCHEMBL28517262 0.69 IDO1 (0.42) IDO1
SCHEMBL31261019 0.67 NFE2L2 (0.38) CA9CA14NFE2L2
Hydrochloric Acid SCHEMBL11402787 0.67 ACHE (0.36) CES2CES1ALDH1A1NFE2L2TAAR1
SCHEMBL29352228 0.66

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-2300469-B1 FUSED NITROGEN CONTAINING HETEROCYCLES AND COMPOSITIONS THEREOF AS KINASE INHIBITORS NOVARTIS AG (CH) 2015-06-24 EP disclosed
US-8507488-B2 Fused nitrogen containing heterocycles and compositions thereof as kinase inhibitors IRM LLC (BM) 2013-08-13 US disclosed
US-20110166133-A1 FUSED NITROGEN CONTAINING HETEROCYCLES AND COMPOSITIONS THEREOF AS KINASE INHIBITORS IRM LLC (BM) 2011-07-07 US disclosed
EP-2300469-A2 FUSED NITROGEN CONTAINING HETEROCYCLES AND COMPOSITIONS THEREOF AS KINASE INHIBITORS IRM LLC (BM) 2011-03-30 EP disclosed
WO-2009140128-A2 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2009-11-19 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-20110166133-A1 FUSED NITROGEN CONTAINING HETEROCYCLES AND COMPOSITIONS THEREOF AS KINASE INHIBITORS ALK, ROS1, FLT3 CA3 2755/4885CA6 3843/4885CA5A 1625/4885

“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.