SCHEMBL3451718

SCHEMBL3451718

O=C(O)CCC(=O)Nc1cccc(-c2cnc(Nc3ccc(F)c(Cl)c3)nc2N2CCOCC2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 4/20 0.51
▸ JAK3 P52333 4/20 0.46
▸ PIK3CD O00329 3/20 0.45
▸ PIK3CB P42338 3/20 0.45
▸ CYP3A4 P08684 2/20 0.45
▸ AKT1 P31749 2/20 0.45
▸ PIK3CG P48736 2/20 0.45
▸ PIK3CA P42336 2/20 0.45
▸ JAK2 O60674 3/20 0.44
▸ JAK1 P23458 3/20 0.44
▸ TTK P33981 2/20 0.43
▸ EGFR P00533 2/20 0.43
▸ SYK P43405 1/20 0.43
▸ PKMYT1 Q99640 1/20 0.42
▸ MCHR1 Q99705 1/20 0.42
▸ MAPK9 P45984 1/20 0.42
▸ MAPK10 P53779 1/20 0.42
▸ PDE10A Q9Y233 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41

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
SCHEMBL3448765 0.92 PIK3CA (0.46) BTKJAK3PIK3CDPIK3CBCYP3A4
SCHEMBL3451095 0.85 MEN1 (0.49) BTKJAK3PIK3CAJAK2PKMYT1
SCHEMBL3449110 0.85 SYK (0.51) BTKJAK3PIK3CAJAK2JAK1
SCHEMBL3447480 0.81 PIM2 (0.48) BTKJAK3JAK2JAK1TTK
SCHEMBL3447477 0.81 PIM2 (0.48) BTKJAK3JAK2JAK1TTK
SCHEMBL3451804 0.81 JAK2 (0.47) BTKJAK3PIK3CDPIK3CBCYP3A4
SCHEMBL13311509 0.81 SYK (0.52) BTKJAK3JAK2JAK1TTK
SCHEMBL3451632 0.81 TDO2 (0.47) BTKJAK3PIK3CAJAK2JAK1
SCHEMBL3449456 0.81 NPC1 (0.47) BTKJAK3PIK3CAJAK2SYK
SCHEMBL3449798 0.80 NPC1 (0.49) BTKJAK3PIK3CAJAK2EGFR

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-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 — — US disclosed
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 — — US disclosed
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 — — US disclosed
WO-2010038081-A2 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2010-04-08 — — 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-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF SDHA, SDHB, UROD BTK 1019/4885JAK3 2419/4885PIK3CD 2522/4885

“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.

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