Sugi Predict

Sugi Predict / Compounds / SCHEMBL2019468

SCHEMBL2019468

SCHEMBL2019468

Cc1cccc(-n2c(C)ccc2C)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR3E A5X5Y0 1/20 0.50
▸ HTR3B O95264 1/20 0.50
▸ HTR3A P46098 1/20 0.50
▸ HTR3D Q70Z44 1/20 0.50
▸ HTR3C Q8WXA8 1/20 0.50
▸ RECQL P46063 1/20 0.50
▸ CCR1 P32246 1/20 0.46
▸ CCR8 P51685 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.43
▸ NOS3 P29474 1/20 0.43
▸ NOS2 P35228 1/20 0.43
▸ ALOX5 P09917 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ MEN1 O00255 1/20 0.38

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
SCHEMBL30464689 1.00 HTR3E (0.50) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL18586993 0.88 MAPT (0.45) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL5471490 0.78 NOS3 (0.50) ALDH1A1NOS3NOS2KDM4EMAPT
SCHEMBL8354518 0.78 KDM4E (0.38) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL5777870 0.78 GRIN2D (0.41) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL1455672 0.78 HTR3E (0.50) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL2969497 0.75 KDM4E (0.33) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL2015923 0.75 PDE10A (0.36) ALDH1A1KDM4EMAPTNPC1RAB9A
SCHEMBL12900954 0.75 ALDH1A1 (0.49) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7799403 0.75 HTR3E (0.44) HTR3EHTR3BHTR3AHTR3DHTR3C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12213973-B2 Bacterial nitric oxide synthase inhibitors NORTHWESTERN UNIVERSITY (US) 2025-02-04 — — US disclosed
US-20230210840-A1 BACTERIAL NITRIC OXIDE SYNTHASE INHIBITORS NORTHWESTERN UNIVERSITY 2023-07-06 — — US disclosed
US-20230210840-A1 BACTERIAL NITRIC OXIDE SYNTHASE INHIBITORS NORTHWESTERN UNIVERSITY 2023-07-06 — — US disclosed
US-20230210840-A1 BACTERIAL NITRIC OXIDE SYNTHASE INHIBITORS NORTHWESTERN UNIVERSITY 2023-07-06 — — US disclosed
CN-113614087-B WEE1 inhibitor and preparation and application thereof 首药控股(北京)股份有限公司 2023-06-02 — — CN disclosed
US-20220194960-A1 WEE1 INHIBITOR AND PREPARATION AND USE THEREOF Shouyao Holdings (beijing) Co., Ltd. (CN) 2022-06-23 — — US disclosed
EP-3943496-A1 WEE1 INHIBITOR AND PREPARATION AND USE THEREOF Shouyao Holdings (Beijing) Co., Ltd. (CN) 2022-01-26 — — EP disclosed
EP-3943496-A1 WEE1 INHIBITOR AND PREPARATION AND USE THEREOF Shouyao Holdings (Beijing) Co., Ltd. (CN) 2022-01-26 — — EP disclosed
CN-113614087-A WEE1 inhibitor, and preparation and application thereof 首药控股(北京)股份有限公司 2021-11-05 — — CN disclosed
WO-2020192581-A1 WEE1 INHIBITOR AND PREPARATION AND USE THEREOF 首药控股(北京)有限公司 2020-10-01 — — WO disclosed
WO-2003045921-A1 HETEROCYCLIC AMIDE COMPOUNDS AS APOLIPOPROTEIN B INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-06-05 — — WO disclosed
WO-2002090347-A1 AMIDE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-14 — — WO disclosed
WO-2002028835-A1 BENZAMIDE COMPOUNDS AS APO B SECRETION INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-04-11 — — WO disclosed
US-20010034445-A1 Vitronectin receptor antagonists SMITHKLINE BEECHAM CORPORATION 2001-10-25 — — US disclosed
EP-0895475-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2000-08-23 — — EP disclosed
CN-1209060-A Vitronectin receptor antagonists SMITHKLINE BEECHAM CORP (US) 1999-02-24 — — CN disclosed
EP-0895475-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-02-10 — — EP disclosed
EP-0828737-A1 ISOXAZOLINE AND ISOXAZOLE DERIVATIVES AS INTEGRIN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-03-18 — — EP disclosed
US-5710159-A IMIDAZOLIN-2-YLAMINOPROPOXY)ISOXAZOL-5-CARBONYLAMINO-2 -BENZYLOXYCARBONYLAMINOPROPIONIC ACID AS ANTIINFLAMMATORY AGENTS, BONE DEGRADATION, TUMORS, METASTASES AND THROMBOSIS THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1998-01-20 — — US disclosed
WO-1997024122-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-07-10 — — 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 (4 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-12213973-B2 Bacterial nitric oxide synthase inhibitors NOS1, NOS2, NOS3 HTR3E 2343/4885HTR3B 668/4885HTR3A 1060/4885
US-20010034445-A1 Vitronectin receptor antagonists ADGRF1, GPR174, CALCRL HTR3E 1897/4885HTR3B 1381/4885HTR3A 1071/4885
US-20220194960-A1 WEE1 INHIBITOR AND PREPARATION AND USE THEREOF WEE1, WEE2, RCE1 HTR3E 3233/4885HTR3B 4733/4885HTR3A 4654/4885
US-20230210840-A1 BACTERIAL NITRIC OXIDE SYNTHASE INHIBITORS NOS1, NOS2, NOS3 HTR3E 2343/4885HTR3B 668/4885HTR3A 1060/4885

“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.