SCHEMBL479898

SCHEMBL479898

COc1ccc(CC(=O)c2ccnc(C)c2)c(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
WNT3A P56704 2/20 0.40
P2RX7 Q99572 3/20 0.39
JAK2 O60674 1/20 0.38
TYK2 P29597 1/20 0.38
PDE4D Q08499 1/20 0.38
ALDH1A1 P00352 3/20 0.38
LMNA P02545 2/20 0.38
CYP1A2 P05177 1/20 0.38
GLA P06280 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
EPHX2 P34913 1/20 0.38

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
SCHEMBL480063 0.89 TDP1 (0.41) TDP1P2RX7JAK2TYK2PDE4D
SCHEMBL837553 0.83 SMARCA2 (0.39) P2RX7JAK2ALDH1A1LMNAKDM4A
SCHEMBL480319 0.81 MAPT (0.51) PDE4DALDH1A1LMNACYP3A4TSHR
SCHEMBL480012 0.78 ALDH1A1 (0.55) TDP1ALDH1A1CYP1A2CYP3A4TSHR
SCHEMBL27974417 0.75 CYP3A4 (0.44) DYRK1AWNT3AP2RX7JAK2TYK2
SCHEMBL474033 0.74 RECQL (0.45) TDP1P2RX7ALDH1A1LMNATSHR
SCHEMBL480081 0.74 ROCK2 (0.40) DYRK1AJAK2TYK2LMNAMRGPRX4
SCHEMBL473881 0.73 HSD17B10 (0.63) TDP1ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL17767019 0.73 CYP3A4 (0.47) TDP1JAK2TYK2ALDH1A1LMNA
SCHEMBL473944 0.73 HSD17B10 (0.46) TDP1JAK2TYK2ALDH1A1MRGPRX4

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-2411361-B1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS HOFFMANN LA ROCHE (CH) 2014-06-18 EP disclosed
US-8138189-B2 Substituted benzene compounds as modulators of the glucocorticoid receptor HOFFMAN-LA ROCHE INC. (US) 2012-03-20 US disclosed
EP-2411361-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2012-02-01 EP disclosed
US-20100249139-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS HOFFMANN-LA ROCHE, INC. 2010-09-30 US disclosed
WO-2010108902-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2010-09-30 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-20100249139-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS NR3C1, NR3C2, CRHR1 DYRK1A 841/4885TDP1 1284/4885WNT3A 1068/4885

“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.