SCHEMBL2592035

SCHEMBL2592035

CNC(=O)c1nc(C)c(Br)s1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
HPGD P15428 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 3/20 0.36
GAA P10253 4/20 0.36
POLB P06746 2/20 0.35
IKBKB O14920 1/20 0.35
CHUK O15111 1/20 0.35
CREBBP Q92793 1/20 0.34
USP2 O75604 1/20 0.34
CDC7 O00311 1/20 0.34
DBF4 Q9UBU7 1/20 0.34

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
SCHEMBL12179254 0.82 ALDH1A1 (0.46) ALDH1A1HPGDNPSR1SMN1; SMN2MAPT
SCHEMBL18355569 0.79 SMN1; SMN2 (0.37) ALDH1A1HPGDSMN1; SMN2MAPTNPC1
SCHEMBL9995995 0.78 ALDH1A1 (0.39) ALDH1A1HPGDSMN1; SMN2MAPTNPC1
SCHEMBL12894510 0.77 ALDH1A1 (0.45) ALDH1A1HPGDNPSR1MAPTNPC1
SCHEMBL16751925 0.76 ALDH1A1 (0.34) ALDH1A1HPGDMAPTNPC1RAB9A
SCHEMBL25406019 0.76 SMN1; SMN2 (0.53) ALDH1A1HPGDNPSR1SMN1; SMN2MAPT
SCHEMBL31458677 0.74 ALDH1A1 (0.47) ALDH1A1HPGDNPSR1SMN1; SMN2MAPT
SCHEMBL18356097 0.72 GSK3B (0.43) ALDH1A1HPGDMAPT
SCHEMBL18352390 0.71 USP2 (0.38) ALDH1A1HPGDNPSR1SMN1; SMN2MAPT
SCHEMBL289991 0.70 ALDH1A1 (0.43) ALDH1A1HPGDNPSR1SMN1; SMN2MAPT

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-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

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 ALDH1A1 143/4885HPGD 1646/4885NPSR1 4705/4885

“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.