SCHEMBL2591875

SCHEMBL2591875

Cc1nn(CC(O)CO)c(C)c1Br

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 2/20 0.57
ALDH1A1 P00352 6/20 0.56
LMNA P02545 5/20 0.53
MAPT P10636 3/20 0.53
NPSR1 Q6W5P4 3/20 0.53
HSD17B10 Q99714 3/20 0.51
KDM4E B2RXH2 2/20 0.51
USP2 O75604 2/20 0.51
TSHR P16473 2/20 0.51
HTT P42858 4/20 0.48
POLB P06746 1/20 0.48
GAA P10253 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 1/20 0.48
CSNK2A1 P68400 1/20 0.47
HPGD P15428 2/20 0.44
TP53 P04637 2/20 0.40
AGTR1 P30556 1/20 0.36
ATM Q13315 1/20 0.35

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
SCHEMBL15150662 0.81 APAF1 (0.54) APAF1ALDH1A1LMNAMAPTNPSR1
SCHEMBL12179255 0.81 APAF1 (0.54) APAF1ALDH1A1LMNAMAPTNPSR1
SCHEMBL27395979 0.77 APAF1 (0.39) APAF1ALDH1A1LMNAMAPTNPSR1
SCHEMBL6920216 0.73 APAF1 (0.50) APAF1ALDH1A1LMNAMAPTNPSR1
SCHEMBL1850785 0.70 APAF1 (0.47) APAF1ALDH1A1LMNAMAPTNPSR1
SCHEMBL13177328 0.70 APAF1 (0.50) APAF1ALDH1A1LMNAMAPTNPSR1
SCHEMBL2588908 0.69 APAF1 (0.50) APAF1ALDH1A1LMNAMAPTNPSR1
SCHEMBL27395984 0.68 CSNK2A1 (0.33) APAF1CSNK2A1
SCHEMBL15147618 0.67 APAF1 (0.54) APAF1ALDH1A1LMNAMAPTNPSR1
SCHEMBL15707500 0.67 CSNK2A1 (0.46) MAPTCSNK2A1ATM

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 APAF1 2785/4885ALDH1A1 143/4885LMNA 629/4885

“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.