SCHEMBL3451804

SCHEMBL3451804

O=C(O)Cn1cc(-c2cnc(Nc3ccc(F)c(Cl)c3)nc2N2CCOCC2)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 3/20 0.47
▸ HDAC3 O15379 1/20 0.47
▸ HDAC4 P56524 1/20 0.47
▸ HDAC1 Q13547 1/20 0.47
▸ HDAC7 Q8WUI4 1/20 0.47
▸ HDAC2 Q92769 1/20 0.47
▸ HDAC10 Q969S8 1/20 0.47
▸ HDAC11 Q96DB2 1/20 0.47
▸ HDAC8 Q9BY41 1/20 0.47
▸ HDAC6 Q9UBN7 1/20 0.47
▸ HDAC9 Q9UKV0 1/20 0.47
▸ HDAC5 Q9UQL6 1/20 0.47
▸ PDE10A Q9Y233 1/20 0.43
▸ PIK3CA P42336 4/20 0.43
▸ PIK3CD O00329 3/20 0.43
▸ PIK3CB P42338 3/20 0.43
▸ CYP3A4 P08684 2/20 0.42
▸ AKT1 P31749 2/20 0.42
▸ PIK3CG P48736 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42

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 0.84 PIK3CA (0.46) JAK2HDAC3HDAC4HDAC1HDAC7
SCHEMBL3449798 0.83 NPC1 (0.49) JAK2PIK3CASMN1; SMN2NPC1RAB9A
SCHEMBL3450200 0.82 SMN1; SMN2 (0.44) JAK2PIK3CASMN1; SMN2NPC1RAB9A
SCHEMBL3451632 0.82 TDO2 (0.47) JAK2PIK3CASMN1; SMN2NPC1RAB9A
SCHEMBL3451718 0.81 BTK (0.51) JAK2PDE10APIK3CAPIK3CDPIK3CB
SCHEMBL3451095 0.81 MEN1 (0.49) JAK2PIK3CASMN1; SMN2NPC1RAB9A
SCHEMBL3449110 0.81 SYK (0.51) JAK2PIK3CASMN1; SMN2NPC1RAB9A
SCHEMBL3451664 0.80 MAPK1 (0.46) JAK2PIK3CASMN1; SMN2NPC1RAB9A
SCHEMBL3450597 0.80 TDO2 (0.52) PIK3CAAKT1SMN1; SMN2NPC1RAB9A
SCHEMBL13310863 0.80 NPC1 (0.49) SMN1; SMN2NPC1RAB9AMAPK9MAPK10

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 JAK2 1093/4885HDAC3 1200/4885HDAC4 2266/4885

“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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