SCHEMBL2594448

SCHEMBL2594448

COC(=O)c1cc(F)cc2scnc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.38
RAB9A P51151 5/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
TNF P01375 2/20 0.37
LMNA P02545 2/20 0.37
GAA P10253 2/20 0.37
MAPT P10636 2/20 0.37
HPGD P15428 2/20 0.37
HTT P42858 2/20 0.37
MCL1 Q07820 2/20 0.37
NOD1 Q9Y239 2/20 0.37
ALDH1A1 P00352 2/20 0.37
NOD2 Q9HC29 1/20 0.37
PSMD14 O00487 1/20 0.37

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
SCHEMBL2590659 0.83 NPC1 (0.37) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL15140460 0.81 HCRTR1 (0.35) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL2592514 0.81 XDH (0.41) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL12179556 0.80 TRPM8 (0.36) PKLRPARP14DYRK1ADYRK1B
SCHEMBL29010757 0.76 POLB (0.43) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL29437865 0.76 POLB (0.43) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL27185824 0.75 IRAK4 (0.39) SMN1; SMN2MEN1KMT2ALMNAGAA
SCHEMBL15466759 0.75 ALDH1A1 (0.46) KMT2ALMNAGAAMAPTALDH1A1
SCHEMBL21228029 0.72 PDE2A (0.35) TNF
SCHEMBL16047955 0.71 GAA (0.41) NPC1RAB9ASMN1; SMN2CASP3SENP8

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 4 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-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 NPC1 722/4885RAB9A 1783/4885SMN1; SMN2 1029/4885

“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.