SCHEMBL27089288

SCHEMBL27089288

C[C@@H](NCCO)c1cccnc1N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDCD1LG2 Q9BQ51 3/20 0.39
▸ CD274 Q9NZQ7 3/20 0.39
▸ NOS3 P29474 1/20 0.38
▸ NOS1 P29475 1/20 0.38
▸ NOS2 P35228 1/20 0.38
▸ ADRB2 P07550 1/20 0.36
▸ NAPRT Q6XQN6 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ ADORA2B P29275 1/20 0.34
▸ TKT P29401 3/20 0.33
▸ POLB P06746 1/20 0.33
▸ BACE1 P56817 1/20 0.33
▸ GABRA1 P14867 1/20 0.33
▸ GABRG2 P18507 1/20 0.33
▸ GABRB3 P28472 1/20 0.33
▸ SHMT2 P34897 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ MKNK1 Q9BUB5 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
SCHEMBL27088681 1.00 PDCD1LG2 (0.39) PDCD1LG2CD274NOS3NOS1NOS2
SCHEMBL27089257 1.00 PDCD1LG2 (0.39) PDCD1LG2CD274NOS3NOS1NOS2
Hydrochloric Acid SCHEMBL31382734 0.98 PDCD1LG2 (0.38) PDCD1LG2CD274NOS3NOS1NOS2
SCHEMBL31242986 0.88 NOS3 (0.36) PDCD1LG2CD274NOS3NOS1NOS2
SCHEMBL29322201 0.83 PDCD1LG2 (0.40) PDCD1LG2CD274ADRB2ALDH1A1LMNA
SCHEMBL31171578 0.82 NOS2 (0.41) NOS3NOS1NOS2ADRB2NAPRT
SCHEMBL31298224 0.82 NOS2 (0.41) NOS3NOS1NOS2ADRB2NAPRT
SCHEMBL31171591 0.81 NOS3 (0.35) NOS3NOS1NOS2ADRB2ALDH1A1
SCHEMBL31382782 0.79 SHMT2 (0.35) NOS3NOS1NOS2NAPRTTKT
SCHEMBL32666265 0.79 SHMT2 (0.35) NOS3NOS1NOS2NAPRTTKT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4735451-A1 SUBSTITUTED CONDENSED TRICYCLIC AMINE COMPOUNDS AND USES THEREOF AS RAS INHIBITORS Kumquat Biosciences Inc. (US) 2026-05-06 — — EP disclosed
US-20260028358-A1 SUBSTITUTED HETEROAROMATIC AMINES AND USES THEREOF KUMQUAT BIOSCIENCES INC (US) 2026-01-29 — — US disclosed
WO-2025007000-A1 SUBSTITUTED CONDENSED TRICYCLIC AMINE COMPOUNDS AND USES THEREOF AS RAS INHIBITORS KUMQUAT BIOSCIENCES INC. (US) 2025-01-02 — — WO disclosed
US-20240383915-A1 OXAZEPINE COMPOUNDS AND USES THEREOF IN THE TREATMENT OF CANCER GENENTECH, INC. (US) 2024-11-21 — — US disclosed
US-20240228512-A1 ACYCLIC OXAZEPINE COMPOUNDS COMPRISING A 6-AZA MOIETY AND USES THEREOF GENENTECH, INC. (US) 2024-07-11 — — US disclosed
WO-2024083168-A1 OXAZEPINE COMPOUNDS COMPRISING A 6-AZA MOIETY AND USES THEREOF GENENTECH, INC. (US) 2024-04-25 — — WO 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 (3 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-20260028358-A1 SUBSTITUTED HETEROAROMATIC AMINES AND USES THEREOF HRAS, KRAS, BCL6 PDCD1LG2 3311/4885CD274 4361/4885NOS3 4056/4885
US-20240228512-A1 ACYCLIC OXAZEPINE COMPOUNDS COMPRISING A 6-AZA MOIETY AND USES THEREOF AZI2, HDAC5, HDAC4 PDCD1LG2 388/4885CD274 775/4885NOS3 3905/4885
US-20240383915-A1 OXAZEPINE COMPOUNDS AND USES THEREOF IN THE TREATMENT OF CANCER OXA1L, GRIK4, GRIK5 PDCD1LG2 809/4885CD274 1133/4885NOS3 3521/4885

“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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