SCHEMBL28663871

SCHEMBL28663871

NC(=O)c1c(F)cc(Br)cc1NC1CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 2/20 0.51
▸ PIM1 P11309 2/20 0.43
▸ PIM2 Q9P1W9 2/20 0.43
▸ DGAT1 O75907 1/20 0.40
▸ HSP90AA1 P07900 4/20 0.37
▸ HSP90AB1 P08238 3/20 0.37
▸ HSP90B1 P14625 3/20 0.37
▸ ROCK1 Q13464 1/20 0.37
▸ TRAP1 Q12931 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA3 P07451 1/20 0.34
▸ CA6 P23280 1/20 0.34
▸ CA7 P43166 1/20 0.34
▸ CA5B Q9Y2D0 1/20 0.34

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
SCHEMBL12820378 0.91 ROCK2 (0.44) ROCK2PIM1PIM2DGAT1HSP90AA1
SCHEMBL12820377 0.87 HSP90AA1 (0.52) ROCK2PIM1PIM2DGAT1HSP90AA1
SCHEMBL1317647 0.77 DGAT1 (0.55) DGAT1ALDH1A1KDM4EMEN1MAPT
SCHEMBL30847414 0.77 ROCK2 (0.39) ROCK2PIM1PIM2KDM4EMAPT
SCHEMBL27112718 0.77 ROCK2 (0.39) ROCK2PIM1PIM2KDM4EMAPT
SCHEMBL28663872 0.75 ROCK2 (0.45) ROCK2PIM1PIM2HSP90AA1ROCK1
SCHEMBL23723698 0.74 DGAT1 (0.48) DGAT1KDM4EMEN1MAPTKMT2A
SCHEMBL2775670 0.74 ROCK2 (0.38) ROCK2PIM1PIM2KMT2ACA1
SCHEMBL21478688 0.74 PIM1 (0.46) ROCK2PIM1PIM2HSP90AA1ALDH1A1
SCHEMBL23494625 0.74 PIM1 (0.46) ROCK2PIM1PIM2HSP90AA1ALDH1A1

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
CN-113767106-B Oxazaquinazolin-7 (8H) -ones, preparation method and medical application thereof 劲方医药科技(上海)有限公司 2024-02-20 — — CN disclosed
US-20220251109-A1 OXAAZAQUINAZOLINE-7(8H)-KETONE COMPOUND, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL APPLICATION THEREOF GENFLEET THERAPEUTICS (SHANGHAI) INC. (CN) 2022-08-11 — — US disclosed
EP-3964516-A1 OXAAZAQUINAZOLINE-7(8H)-KETONE COMPOUND, PREPARATION METHOD THERFOR AND PHARMACEUTICAL APPLICATION THEREOF Genfleet Therapeutics (Shanghai) Inc. (CN) 2022-03-09 — — EP disclosed
CN-113767106-A Oxaazaquinazolin-7 (8H) -ones, their preparation and pharmaceutical use 劲方医药科技(上海)有限公司 2021-12-07 — — CN 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-20220251109-A1 OXAAZAQUINAZOLINE-7(8H)-KETONE COMPOUND, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL APPLICATION THEREOF KRAS, NRAS, WEE1 ROCK2 1491/4885PIM1 1277/4885PIM2 1757/4885

“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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