SCHEMBL3784845

SCHEMBL3784845

O=C(Nc1cncc(N2CCOCC2)c1)C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.51
GSK3B P49841 1/20 0.51
JAK2 O60674 2/20 0.49
BRAF P15056 4/20 0.46
RAF1 P04049 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.43
RAB9A P51151 3/20 0.43
TP53 P04637 2/20 0.43
NPC1 O15118 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.42
FPR1 P21462 1/20 0.42
FPR2 P25090 1/20 0.42
AKT1 P31749 1/20 0.40
DGAT1 O75907 1/20 0.40
MITF O75030 1/20 0.40

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
SCHEMBL3989083 0.83 MAPT (0.55) MAPTGSK3BBRAFRAF1SMN1; SMN2
SCHEMBL27866914 0.79 MAPT (0.51) MAPTGSK3BBRAFRAF1SMN1; SMN2
SCHEMBL18247723 0.76 L3MBTL1 (0.53) MAPTSMN1; SMN2RAB9ATP53NPC1
SCHEMBL3542778 0.76 CHRNB4 (0.44)
SCHEMBL3542780 0.76 CHRNB4 (0.44)
SCHEMBL790400 0.75 PI4KA (0.48) MAPTJAK2BRAFRAF1ALDH1A1
SCHEMBL17602322 0.74 MAPT (0.45) MAPTGSK3BSMN1; SMN2TP53L3MBTL1
SCHEMBL12205229 0.73 LRRK2 (0.51) MAPTSMN1; SMN2RAB9ATP53NPC1
SCHEMBL2088657 0.71 JAK2 (0.47) MAPTJAK2SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL18247763 0.70 L3MBTL1 (0.44) MAPTSMN1; SMN2RAB9ATP53NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8940724-B2 Quinoline derivitives and their uses AMGEN INC. (US) 2015-01-27 US disclosed
US-20100331293-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-12-30 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-20100331293-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, MALT1, BCL9 MAPT 3291/4885GSK3B 512/4885JAK2 85/4885

“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.