SCHEMBL890660

SCHEMBL890660

CC(=O)OCc1nc2ccc(F)cn2c(=O)c1Br

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.37
GABRB2 P47870 2/20 0.37
FADS1 O60427 2/20 0.35
TRPA1 O75762 1/20 0.35
AHR P35869 1/20 0.35
NPC1 O15118 3/20 0.34
KDM4E B2RXH2 3/20 0.34
RAB9A P51151 2/20 0.34
GAA P10253 2/20 0.34
MIF P14174 1/20 0.34
RXFP1 Q9HBX9 3/20 0.33
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
S1PR4 O95977 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
S1PR1 P21453 1/20 0.33
PPARG P37231 1/20 0.33
OPRD1 P41143 1/20 0.33

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
SCHEMBL21772731 0.85 ALDH1A1 (0.41) KDM4EGAAALDH1A1SMN1; SMN2LMNA
SCHEMBL890483 0.80 FADS1 (0.40) GABRA1GABRB2FADS1TRPA1AHR
SCHEMBL890534 0.80 KDM4E (0.44) KDM4ERAB9AGAARXFP1ALDH1A1
SCHEMBL2716627 0.78 FADS1 (0.38) GABRA1GABRB2FADS1TRPA1AHR
SCHEMBL21772417 0.75 CYP1A2 (0.34) NPC1KDM4ERAB9AGAAALDH1A1
SCHEMBL890805 0.72 HTT (0.44) NPC1KDM4ERAB9AGAARXFP1
SCHEMBL23456485 0.68 FADS1 (0.51) GABRA1GABRB2FADS1AHRKDM4E
SCHEMBL890482 0.68 FADS1 (0.38) GABRA1GABRB2FADS1TRPA1AHR
SCHEMBL21772471 0.67 SMN1; SMN2 (0.42) GABRA1GABRB2FADS1NPC1KDM4E
SCHEMBL3146184 0.65 MAPK1 (0.43) KDM4ERAB9AGAARXFP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8754089-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2014-06-17 US disclosed
US-8754089-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2014-06-17 US disclosed
US-8754089-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2014-06-17 US disclosed
EP-2445898-A2 4H-PYRIDO[1,2-A]PYRIMIDIN-4-ONE DERIVATIVES AS PI3K INHIBITORS Amgen, Inc (US) 2012-05-02 EP disclosed
US-20120083502-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2012-04-05 US disclosed
US-20120083502-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2012-04-05 US disclosed
US-20120083502-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2012-04-05 US disclosed
WO-2010151735-A2 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-12-29 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-20120083502-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, MALT1, BCL9 GABRA1 2605/4885GABRB2 1938/4885FADS1 2808/4885

“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.