SCHEMBL27088883

SCHEMBL27088883

COc1ccc(CNc2nccc(C(F)F)c2CN)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.47
▸ CLK4 Q9HAZ1 2/20 0.45
▸ CDK1 P06493 3/20 0.45
▸ CCNB2 O95067 2/20 0.45
▸ CCNB1 P14635 2/20 0.45
▸ CCNB3 Q8WWL7 2/20 0.45
▸ EGFR P00533 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ NR2F2 P24468 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ APP P05067 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ CLK1 P49759 2/20 0.42
▸ CLK2 P49760 1/20 0.42
▸ DYRK1A Q13627 1/20 0.42
▸ DYRK1B Q9Y463 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ MAP2K4 P45985 1/20 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
SCHEMBL29998943 1.00 NPC1 (0.47) NPC1CLK4CDK1CCNB2CCNB1
SCHEMBL29999955 0.85 NPC1 (0.47) NPC1CLK4CDK1CCNB2CCNB1
SCHEMBL27089006 0.85 NPC1 (0.47) NPC1CLK4CDK1CCNB2CCNB1
SCHEMBL27088659 0.83 CCNE2 (0.46) NPC1CLK4CDK1CCNB2CCNB1
SCHEMBL29999499 0.82 NPC1 (0.58) NPC1CLK4CDK1CCNB2CCNB1
SCHEMBL29999532 0.81 KDM4E (0.56) NPC1CLK4CDK1CCNB2CCNB1
SCHEMBL27089388 0.81 KDM4E (0.56) NPC1CLK4CDK1CCNB2CCNB1
SCHEMBL29999474 0.78 NPC1 (0.38) NPC1CLK4CDK1CCNB2CCNB1
SCHEMBL27088952 0.78 NPC1 (0.38) NPC1CLK4CDK1CCNB2CCNB1
SCHEMBL27033740 0.73 NPC1 (0.57) NPC1CLK4CDK1CCNB2CCNB1

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-20240383915-A1 OXAZEPINE COMPOUNDS AND USES THEREOF IN THE TREATMENT OF CANCER GENENTECH, INC. (US) 2024-11-21 — — US disclosed
EP-4320132-A1 OXAZEPINE COMPOUNDS AND USES THEREOF IN THE TREATMENT OF CANCER Genentech, Inc. (US) 2024-02-14 — — EP disclosed
CN-117083279-A Oxazepine compounds and their use in the treatment of cancer 基因泰克公司 2023-11-17 — — CN disclosed
WO-2022216762-A1 OXAZEPINE COMPOUNDS AND USES THEREOF IN THE TREATMENT OF CANCER GENENTECH, INC. (US) 2022-10-13 — — 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-20240383915-A1 OXAZEPINE COMPOUNDS AND USES THEREOF IN THE TREATMENT OF CANCER OXA1L, GRIK4, GRIK5 NPC1 3234/4885CLK4 3671/4885CDK1 607/4885

“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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