SCHEMBL2749596

SCHEMBL2749596

Fc1cccc2nc(I)sc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 2/20 0.36
RAB9A P51151 7/20 0.36
SMN1; SMN2 Q16637 6/20 0.36
NPC1 O15118 6/20 0.36
ALDH1A1 P00352 5/20 0.36
MAPT P10636 4/20 0.36
GAA P10253 3/20 0.36
HPGD P15428 3/20 0.36
KDM4E B2RXH2 3/20 0.36
LMNA P02545 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
MAPK1 P28482 1/20 0.36
AKR1A1 P14550 1/20 0.35
AKR1B1 P15121 1/20 0.35
PDE10A Q9Y233 2/20 0.34
PRNP P04156 1/20 0.34
NAAA Q02083 1/20 0.33
L3MBTL1 Q9Y468 3/20 0.32
CASP1 P29466 1/20 0.32

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
SCHEMBL31389941 0.78 PSMB8 (0.37) PSMB8RAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL2749649 0.76 BACE1 (0.36) PSMB8MAPTAKR1B1L3MBTL1HSP90AA1
SCHEMBL4242805 0.76 PSMB8 (0.43) PSMB8RAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL30626911 0.76 RAB9A (0.42) PSMB8RAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL2748327 0.76 PSMB8 (0.36) PSMB8RAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL7216759 0.76 PSMB8 (0.36) PSMB8RAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL7216764 0.76 RAB9A (0.42) PSMB8RAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL2747888 0.76 SMN1; SMN2 (0.52) PSMB8RAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL18499847 0.75 NPC1 (0.31) RAB9ASMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL30520684 0.74 SMN1; SMN2 (0.50) PSMB8RAB9ASMN1; SMN2NPC1ALDH1A1

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-8178668-B2 2-aminopyridine kinase inhibitors OSI Pharmaceuticals, LLC (US) 2012-05-15 US disclosed
EP-2265270-A1 2-AMINOPYRIDINE KINASE INHIBITORS OSI Pharmaceuticals, Inc. (US) 2010-12-29 EP disclosed
WO-2009099982-A1 2-AMINOPYRIDINE KINASE INHIBITORS OSI PHARMACEUTICALS, INC. (US) 2009-08-13 WO disclosed
US-20090197862-A1 2-AMINOPYRIDINE KINASE INHIBITORS OSI PHARMACEUTICALS, INC. 2009-08-06 US 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-20090197862-A1 2-AMINOPYRIDINE KINASE INHIBITORS ERBB2, ABL2, TIE1 PSMB8 4599/4885RAB9A 1549/4885SMN1; SMN2 763/4885

“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.