SCHEMBL2966057

SCHEMBL2966057

O=c1[nH]cnc2oc(I)c(-c3ccccc3)c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.48
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 2/20 0.46
SRC P12931 1/20 0.42
PIM1 P11309 1/20 0.40
PIM3 Q86V86 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
KDM4E B2RXH2 3/20 0.39
GAA P10253 2/20 0.39
HTT P42858 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPT P10636 7/20 0.38
LMNA P02545 4/20 0.38
PDPK1 O15530 3/20 0.38
CYP3A4 P08684 1/20 0.37
PARP1 P09874 2/20 0.36

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
SCHEMBL737611 0.84 TNK2 (0.52) DYRK1ARAB9ASMN1; SMN2NPC1SRC
SCHEMBL1787392 0.82 NOTUM (0.42) RAB9ASMN1; SMN2NPC1GAAMAPT
SCHEMBL2968444 0.82 DYRK1A (0.44) DYRK1ARAB9ASMN1; SMN2NPC1SRC
SCHEMBL14923117 0.78 AURKA (0.48) DYRK1ARAB9ASMN1; SMN2NPC1SRC
SCHEMBL6198726 0.77 PDPK1 (0.50) DYRK1ARAB9ASMN1; SMN2NPC1PIM1
SCHEMBL6200114 0.77 LMNA (0.47) DYRK1ARAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL6203015 0.76 KDR (0.43) DYRK1ARAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL1786338 0.74 KDM4E (0.61) SMN1; SMN2KDM4EALDH1A1HPGDMAPT
SCHEMBL6202380 0.74 NPC1 (0.43) DYRK1ARAB9ASMN1; SMN2NPC1SRC
SCHEMBL1785591 0.74 TNK2 (0.43) RAB9ASMN1; SMN2NPC1KDM4EALDH1A1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120309739-A1 AKT / PKB INHIBITORS ALMAC DISCOVERY LIMITED (GB) 2012-12-06 US disclosed
US-7776867-B2 Furanopyrimidines AMGEN INC. (US) 2010-08-17 US disclosed
US-7776867-B2 Furanopyrimidines AMGEN INC. (US) 2010-08-17 US disclosed
US-7776867-B2 Furanopyrimidines AMGEN INC. (US) 2010-08-17 US disclosed
EP-1768986-A2 FURANOPYRIMIDINES Amgen Inc. (US) 2007-04-04 EP disclosed
US-20060040961-A1 Furanopyrimidines AMGEN INC. 2006-02-23 US disclosed
WO-2006004658-A2 FURANOPYRIMIDINES AMGEN INC. (US) 2006-01-12 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 (2 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-20060040961-A1 Furanopyrimidines TYMS, IDO1, NFATC1 DYRK1A 1826/4885RAB9A 3209/4885SMN1; SMN2 1350/4885
US-20120309739-A1 AKT / PKB INHIBITORS AKT1, AKT2, AKT3 DYRK1A 1143/4885RAB9A 1049/4885SMN1; SMN2 3152/4885

“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.