SCHEMBL18805606

SCHEMBL18805606

CC(C)(C)OC(=O)NC1(C)CNC(=O)c2ccc(Br)cc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 3/20 0.36
▸ AAK1 Q2M2I8 8/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ PARP10 Q53GL7 2/20 0.34
▸ TDP2 O95551 1/20 0.34
▸ PARP11 Q9NR21 1/20 0.34
▸ PARP1 P09874 1/20 0.34
▸ ALK Q9UM73 1/20 0.34
▸ MAPK10 P53779 1/20 0.33
▸ CCNB2 O95067 1/20 0.33
▸ CDK1 P06493 1/20 0.33
▸ CCNB1 P14635 1/20 0.33
▸ GSK3B P49841 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
SCHEMBL18787033 0.83 PARP10 (0.38) PARP10TDP2PARP11PARP1ALK
SCHEMBL18805596 0.82 BACE1 (0.42) BACE1AAK1NPC1RECQLRAB9A
SCHEMBL18786939 0.81 ALK (0.35) RECQLRAB9ASMN1; SMN2PARP10TDP2
SCHEMBL30935187 0.74 RORC (0.41) BACE1ALKCCNB2CDK1CCNB1
SCHEMBL12078131 0.72 TDP2 (0.46) PARP10TDP2PARP11PARP1
SCHEMBL17040901 0.71 BACE1 (0.43) BACE1AAK1NPC1RECQLRAB9A
SCHEMBL18797823 0.70 PARP10 (0.38) CYP1A2CYP3A4CYP2C9CYP2C19PARP10
SCHEMBL30935122 0.70 USP30 (0.41) ALKCCNB2CDK1CCNB1GSK3B
SCHEMBL18786606 0.69 TDP2 (0.44) PARP10TDP2PARP11PARP1
SCHEMBL31351682 0.69 CA12 (0.41) SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170121346-A1 ISOINDOLINE, AZAISOINDOLINE, DIHYDROINDENONE AND DIHYDROAZAINDENONE INHIBITORS OF MNK1 AND MNK2 OXFORD FINANCE LLC, AS COLLATERAL AGENT 2017-05-04 — — US disclosed
US-20170121346-A1 ISOINDOLINE, AZAISOINDOLINE, DIHYDROINDENONE AND DIHYDROAZAINDENONE INHIBITORS OF MNK1 AND MNK2 OXFORD FINANCE LLC, AS COLLATERAL AGENT 2017-05-04 — — US disclosed
WO-2017075394-A1 ISOINDOLINE, AZAISOINDOLINE, DIHYDROINDENONE AND DIHYDROAZAINDENONE INHIBITORS OF MNK1 AND MNK2 EFFECTOR THERAPEUTICS, INC. (US) 2017-05-04 — — 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-20170121346-A1 ISOINDOLINE, AZAISOINDOLINE, DIHYDROINDENONE AND DIHYDROAZAINDENONE INHIBITORS OF MNK1 AND MNK2 NEK9, NEK2, NEK3 BACE1 2584/4885AAK1 162/4885NPC1 2923/4885

“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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