SCHEMBL12848748

SCHEMBL12848748

O=C(Nc1c(F)cccc1F)c1nc2c(s1)-c1cc(-n3cccn3)ccc1CCC2

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.38
PIK3CD O00329 2/20 0.36
PIK3CA P42336 2/20 0.36
PIK3CB P42338 2/20 0.36
PIK3CG P48736 2/20 0.36
KAT6A Q92794 4/20 0.36
FGFR1 P11362 3/20 0.36
MAPT P10636 1/20 0.35
LRRK2 Q5S007 1/20 0.34
AVPR2 P30518 1/20 0.34
PI4KB Q9UBF8 1/20 0.33
KLKB1 P03952 1/20 0.33
JAK2 O60674 1/20 0.33
TYK2 P29597 1/20 0.33
DHODH Q02127 1/20 0.33

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
SCHEMBL12848857 0.86 KAT6A (0.38) KAT6AMAPTAVPR2DHODH
SCHEMBL12848563 0.85 ADH5 (0.36) ABL1MAPT
SCHEMBL12848915 0.85 MAPT (0.36) MAPTDHODH
SCHEMBL12848968 0.84 MAPT (0.34) MAPTDHODH
SCHEMBL12848564 0.84 F10 (0.36) MAPTDHODH
SCHEMBL14172542 0.83 MAOB (0.39) MAPTDHODH
SCHEMBL14222733 0.82 MAPT (0.39) MAPTDHODH
SCHEMBL12848973 0.82 TP53 (0.37) MAPTDHODH
SCHEMBL14172528 0.82 DHODH (0.37) MAPTDHODH
SCHEMBL14222356 0.82 MAPT (0.41) MAPTDHODH

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-20110052643-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2011-03-03 US disclosed
WO-2009089305-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2009-07-16 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-20110052643-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES TSLP, NFATC1, IL5 ABL1 2326/4885PIK3CD 1963/4885PIK3CA 1831/4885

“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.