SCHEMBL890482

SCHEMBL890482

O=Cc1nc2ccc(F)cn2c(=O)c1Br

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FADS1 O60427 2/20 0.38
ALDH1A1 P00352 5/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
AHR P35869 2/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
CYP11B1 P15538 4/20 0.33
CYP11B2 P19099 4/20 0.33
GABRA1 P14867 2/20 0.33
GABRB2 P47870 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
TRPA1 O75762 1/20 0.31
HPGD P15428 1/20 0.31
HTR6 P50406 1/20 0.31
CYP19A1 P11511 1/20 0.31

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
SCHEMBL21772620 0.77 PIK3CD (0.46) FADS1ALDH1A1CYP11B1CYP11B2TRPA1
SCHEMBL35211357 0.76 CYP11B1 (0.50) ALDH1A1KMT2ACYP11B1CYP11B2GABRA1
SCHEMBL23456485 0.76 FADS1 (0.51) FADS1ALDH1A1MEN1KMT2AAHR
SCHEMBL890634 0.75 MAPT (0.55) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL890710 0.75 FADS1 (0.40) FADS1ALDH1A1AHRMAPTHTT
SCHEMBL890483 0.75 FADS1 (0.40) FADS1ALDH1A1AHRKDM4ECYP11B1
SCHEMBL890505 0.74 PIK3CD (0.38) FADS1CYP11B1CYP11B2GABRA1GABRB2
SCHEMBL3097607 0.72 PIK3CD (0.37) FADS1CYP11B1CYP11B2GABRA1GABRB2
SCHEMBL2716627 0.72 FADS1 (0.38) FADS1ALDH1A1AHRKDM4ECYP11B1
SCHEMBL3959525 0.71 HDAC1 (0.39) FADS1KDM4EMAPTCYP11B1CYP11B2

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 9 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
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 FADS1 2808/4885ALDH1A1 3735/4885MEN1 1146/4885

“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.