Sugi Predict

Sugi Predict / Compounds / SCHEMBL21733359

SCHEMBL21733359

SCHEMBL21733359

Cc1cc(N)nc(C(C)(C)C)c1C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 1/20 0.35
▸ HSP90AB1 P08238 1/20 0.35
▸ NOS3 P29474 3/20 0.34
▸ NOS1 P29475 3/20 0.34
▸ NOS2 P35228 3/20 0.34
▸ BACE1 P56817 2/20 0.34
▸ POLB P06746 1/20 0.32
▸ PRMT5 O14744 1/20 0.32
▸ MAPT P10636 1/20 0.31
▸ XBP1 P17861 1/20 0.31
▸ HTT P42858 1/20 0.31

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
SCHEMBL22062840 0.84 NOS2 (0.33) HSP90AA1HSP90AB1NOS3NOS1NOS2
SCHEMBL24854337 0.80 NOS2 (0.33) HSP90AA1HSP90AB1NOS3NOS1NOS2
SCHEMBL26059013 0.80 BACE1 (0.31) HSP90AA1HSP90AB1BACE1
SCHEMBL27426862 0.79 NOS2 (0.32) NOS3NOS1NOS2
SCHEMBL21733973 0.79 NOS2 (0.40) HSP90AA1HSP90AB1NOS3NOS1NOS2
SCHEMBL24756842 0.79 HSP90AA1 (0.38) HSP90AA1HSP90AB1NOS3NOS1NOS2
SCHEMBL22062963 0.77 NOS3 (0.33) NOS3NOS1NOS2
SCHEMBL22062891 0.76 NOS2 (0.38) NOS3NOS1NOS2BACE1POLB
SCHEMBL22028950 0.76 HSP90AA1 (0.36) HSP90AA1HSP90AB1NOS3NOS1NOS2
SCHEMBL29851065 0.76 HSP90AA1 (0.36) HSP90AA1HSP90AB1NOS3NOS1NOS2

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240226113-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. 2024-07-11 — — US disclosed
US-20240226113-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. 2024-07-11 — — US disclosed
US-20240217982-A1 KRAS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2024-07-04 — — US disclosed
US-20240217982-A1 KRAS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2024-07-04 — — US disclosed
US-20240067662-A1 KRAS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2024-02-29 — — US disclosed
US-20240067662-A1 KRAS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2024-02-29 — — US disclosed
US-20230357233-A1 HETEROARYL COMPOUNDS, PREPARATION METHODS AND USES THEREOF InventisBio Co., Ltd. (CN) 2023-11-09 — — US disclosed
US-20230357233-A1 HETEROARYL COMPOUNDS, PREPARATION METHODS AND USES THEREOF InventisBio Co., Ltd. (CN) 2023-11-09 — — US disclosed
US-20230295163-A1 TETRACYCLIC DERIVATIVE, METHOD FOR PREPARING SAME AND USE THEREOF IN MEDICINE ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2023-09-21 — — US disclosed
US-20230295163-A1 TETRACYCLIC DERIVATIVE, METHOD FOR PREPARING SAME AND USE THEREOF IN MEDICINE ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2023-09-21 — — US disclosed
US-20230242544-A1 QUINAZOLINE COMPOUNDS, PREPARATION METHODS AND USES THEREOF InventisBio Co., Ltd. (CN) 2023-08-03 — — US disclosed
WO-2023125989-A1 QUINAZOLINE COMPOUND AND APPLICATION THEREOF 上海医药集团股份有限公司 2023-07-06 — — WO disclosed
US-20230203060-A1 FUSED TRICYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF GENFLEET THERAPEUTICS (SHANGHAI) INC. (CN) 2023-06-29 — — US disclosed
US-20230203060-A1 FUSED TRICYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF GENFLEET THERAPEUTICS (SHANGHAI) INC. (CN) 2023-06-29 — — US disclosed
US-20230002345-A1 FUSED RING COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2023-01-05 — — US disclosed
US-11236068-B2 Fused ring compounds GENENTECH, INC. (US) 2022-02-01 — — US disclosed
WO-2021239058-A1 FUSED TRICYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF 劲方医药科技(上海)有限公司 2021-12-02 — — WO disclosed
US-20210230142-A9 FUSED RING COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2021-07-29 — — US disclosed
US-20200181118-A1 FUSED RING COMPOUNDS GENENTECH INC (US) 2020-06-11 — — US disclosed
WO-2020035031-A1 FUSED RING COMPOUNDS GENENTECH, INC. (US) 2020-02-20 — — 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 (11 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-20210230142-A9 FUSED RING COMPOUNDS KRAS, NRAS, HRAS HSP90AA1 856/4885HSP90AB1 324/4885NOS3 3408/4885
US-20240217982-A1 KRAS INHIBITORS KRAS, NRAS, HRAS HSP90AA1 1722/4885HSP90AB1 1014/4885NOS3 4724/4885
US-20230203060-A1 FUSED TRICYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF KRAS, NRAS, TP53 HSP90AA1 4307/4885HSP90AB1 4242/4885NOS3 4780/4885
US-20240226113-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TP53, HRAS, KRAS HSP90AA1 1386/4885HSP90AB1 986/4885NOS3 4050/4885
US-20230242544-A1 QUINAZOLINE COMPOUNDS, PREPARATION METHODS AND USES THEREOF KRAS, NRAS, HRAS HSP90AA1 4292/4885HSP90AB1 4344/4885NOS3 3931/4885
US-20230295163-A1 TETRACYCLIC DERIVATIVE, METHOD FOR PREPARING SAME AND USE THEREOF IN MEDICINE KRAS, NRAS, RHOA HSP90AA1 4184/4885HSP90AB1 4300/4885NOS3 4610/4885
US-20230002345-A1 FUSED RING COMPOUNDS KRAS, NRAS, HRAS HSP90AA1 688/4885HSP90AB1 318/4885NOS3 3179/4885
US-20240067662-A1 KRAS INHIBITORS KRAS, NRAS, HRAS HSP90AA1 2159/4885HSP90AB1 1495/4885NOS3 4751/4885
US-20230357233-A1 HETEROARYL COMPOUNDS, PREPARATION METHODS AND USES THEREOF KRAS, NRAS, HRAS HSP90AA1 4150/4885HSP90AB1 4121/4885NOS3 4701/4885
US-20200181118-A1 FUSED RING COMPOUNDS KRAS, NRAS, HRAS HSP90AA1 856/4885HSP90AB1 324/4885NOS3 3408/4885
US-11236068-B2 Fused ring compounds KRAS, NRAS, HRAS HSP90AA1 856/4885HSP90AB1 324/4885NOS3 3408/4885

“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.