SCHEMBL2590659

SCHEMBL2590659

CC(=O)c1cc(F)cc2scnc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.37
RAB9A P51151 4/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 2/20 0.33
PKLR P30613 1/20 0.33
DAO P14920 1/20 0.33
XDH P47989 1/20 0.33
SLC22A12 Q96S37 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HKDC1 Q2TB90 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
PARP14 Q460N5 2/20 0.32
RIPK1 Q13546 1/20 0.32
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
PDPK1 O15530 1/20 0.31
DYRK1A Q13627 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
SCHEMBL2592514 0.85 XDH (0.41) NPC1RAB9AMEN1KMT2ADAO
SCHEMBL2594448 0.83 NPC1 (0.38) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL12179556 0.78 TRPM8 (0.36) PKLRPARP14DYRK1A
SCHEMBL15140460 0.76 HCRTR1 (0.35) NPC1RAB9AMEN1KMT2APKLR
SCHEMBL30521427 0.73 NPC1 (0.34) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL25804911 0.73 NPC1 (0.34) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL31003190 0.73 NPC1 (0.39) NPC1RAB9AMEN1KMT2ADAO
SCHEMBL21227972 0.73 XDH (0.33) NPC1RAB9AMEN1KMT2ADAO
SCHEMBL15150618 0.73 TGFBR1 (0.30)
SCHEMBL15465930 0.72 PRMT5 (0.43) NPC1RAB9AMEN1KMT2AALDH1A1

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 NPC1 722/4885RAB9A 1783/4885MEN1 441/4885

“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.