SCHEMBL2591903

SCHEMBL2591903

COc1ccc(F)cc1[C@@H](C)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.45
ADRA1A P35348 2/20 0.45
CYP2D6 P10635 2/20 0.45
MEN1 O00255 1/20 0.44
MAPK1 P28482 1/20 0.44
BLM P54132 1/20 0.44
KMT2A Q03164 1/20 0.44
NFE2L2 Q16236 1/20 0.41
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41
HTR2A P28223 2/20 0.40
HTR2C P28335 1/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A2 P23975 1/20 0.40
SCN1A P35498 1/20 0.40
SCN2A Q99250 1/20 0.40
SCN3A Q9NY46 1/20 0.40
ALK Q9UM73 2/20 0.39
KCNH2 Q12809 1/20 0.39

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
SCHEMBL2592419 1.00 ADRA2A (0.45) ADRA2AADRA1ACYP2D6MEN1MAPK1
SCHEMBL2588953 1.00 ADRA2A (0.45) ADRA2AADRA1ACYP2D6MEN1MAPK1
SCHEMBL2609167 0.85 ADRA2A (0.50) ADRA2AADRA1ACYP2D6MEN1MAPK1
SCHEMBL12563119 0.85 MGAM (0.42) ADRA2AADRA1ACYP2D6MEN1MAPK1
SCHEMBL12993119 0.85 MGAM (0.42) ADRA2AADRA1ACYP2D6MEN1MAPK1
SCHEMBL8119851 0.84 NFE2L2 (0.43) ADRA2AADRA1ACYP2D6NFE2L2HTR2A
SCHEMBL27869432 0.81 NFE2L2 (0.41) ADRA2AADRA1ACYP2D6MEN1MAPK1
SCHEMBL895659 0.81 CYP2D6 (0.49) ADRA2AADRA1ACYP2D6MEN1MAPK1
SCHEMBL29429683 0.81 CYP2D6 (0.49) ADRA2AADRA1ACYP2D6MEN1MAPK1
SCHEMBL16952708 0.81 NFE2L2 (0.41) ADRA2AADRA1ACYP2D6MEN1MAPK1

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-8916593-B2 Alkoxy-substituted 2-aminopyridines as ALK inhibitors PFIZER INC. (US) 2014-12-23 US disclosed
US-8916593-B2 Alkoxy-substituted 2-aminopyridines as ALK inhibitors PFIZER INC. (US) 2014-12-23 US disclosed
US-8916593-B2 Alkoxy-substituted 2-aminopyridines as ALK inhibitors PFIZER INC. (US) 2014-12-23 US disclosed
US-20130196952-A1 HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF DISEASES PFIZER INC. (US) 2013-08-01 US disclosed
US-20130196952-A1 HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF DISEASES PFIZER INC. (US) 2013-08-01 US disclosed
US-20130196952-A1 HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF DISEASES PFIZER INC. (US) 2013-08-01 US disclosed
EP-2566858-A2 HETEROCYCLIC DERIVATIVES AS ALK INHIBITORS Pfizer Inc. (US) 2013-03-13 EP disclosed
WO-2011138751-A2 HETEROCYCLIC DERIVATIVES AS ALK INHIBITORS PFIZER INC. (US) 2011-11-10 WO disclosed
WO-2011138751-A2 HETEROCYCLIC DERIVATIVES AS ALK INHIBITORS PFIZER INC. (US) 2011-11-10 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-20130196952-A1 HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF DISEASES ALK, ETV6, ACVR1 ADRA2A 3743/4885ADRA1A 3348/4885CYP2D6 897/4885

“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.