Sugi Predict

Sugi Predict / Compounds / SCHEMBL21492276

SCHEMBL21492276

SCHEMBL21492276

O=C=Nc1cc(F)c(F)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ CYP3A4 P08684 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ TRPA1 O75762 1/20 0.38
▸ CES2 O00748 2/20 0.37
▸ CES1 P23141 2/20 0.37
▸ CYP1A2 P05177 1/20 0.32
▸ CA1 P00915 2/20 0.30
▸ CA2 P00918 2/20 0.30
▸ CA4 P22748 1/20 0.30
▸ CA12 O43570 1/20 0.30
▸ CA7 P43166 1/20 0.30
▸ CA13 Q8N1Q1 1/20 0.30

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
SCHEMBL7934053 0.85 MAPK1 (0.52) MAPK1TDP1CYP3A4TSHRTRPA1
SCHEMBL7930985 0.81 MAPK1 (0.47) MAPK1TDP1CYP3A4TSHRTRPA1
SCHEMBL131042 0.78 TDP1 (0.50) MAPK1TDP1CYP3A4TSHRTRPA1
SCHEMBL159581 0.77 MAPK1 (0.41) MAPK1TDP1CYP3A4TSHRTRPA1
SCHEMBL161540 0.76 MAPK1 (0.52) MAPK1TDP1CYP3A4TSHRTRPA1
SCHEMBL29824353 0.76 MAPK1 (0.52) MAPK1TDP1CYP3A4TSHRTRPA1
SCHEMBL7931082 0.76 MAPK1 (0.57) MAPK1TDP1CYP3A4TSHRTRPA1
SCHEMBL9836913 0.76 MAPK1 (0.52) MAPK1TDP1CYP3A4TSHRTRPA1
SCHEMBL9858794 0.76 MAPK1 (0.47) MAPK1TDP1CYP3A4TSHRTRPA1
SCHEMBL5236864 0.75 GABRA1 (0.35) MAPK1TDP1CES2CES1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119912405-A Fluothidiazuron derivative and preparation method thereof 河南省科学院高新技术研究中心 2025-05-02 — — CN claimed
US-12384790-B2 Pteridinone compounds and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-08-12 — — US disclosed
CN-119912405-A Fluothidiazuron derivative and preparation method thereof 河南省科学院高新技术研究中心 2025-05-02 — — CN disclosed
CN-119908364-A Cotton defoliant containing fluhiuron derivative and application thereof 河南省科学院高新技术研究中心 2025-05-02 — — CN disclosed
US-20250009742-A1 NOVEL CAPSID ASSEMBLY INHIBITORS META-IMMUNE, INC. (KR) 2025-01-09 — — US disclosed
CN-113923988-B Substituted arylmethyl ureas and heteroarylmethyl ureas, analogs thereof, and methods of using the same 爱彼特生物制药公司 2024-12-13 — — CN disclosed
EP-4416142-A1 NOVEL CAPSID ASSEMBLY INHIBITORS AM Sciences Inc (KR) 2024-08-21 — — EP disclosed
CN-118103363-A Novel capsid assembly inhibitor 南韩商AM科学股份有限公司 2024-05-28 — — CN disclosed
EP-3893645-B1 SUBSTITUTED ARYLMETHYLUREAS AND HETEROARYLMETHYLUREAS, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORP (CA) 2024-04-17 — — EP disclosed
CN-112218865-B Pteridinone compounds and uses thereof 沃泰克斯药物股份有限公司 2024-03-12 — — CN disclosed
US-11059826-B2 Pteridinone compounds and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-07-13 — — US disclosed
WO-2021127356-A1 Substituted Bicyclic and Tricyclic Ureas and Amides, Analogues Thereof, and Methods Using Same ARBUTUS BIOPHARMA, INC. (US) 2021-06-24 — — WO disclosed
US-20210079015-A1 NOVEL DIHYDROISOXAZOLE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF HEPATITIS B NOVARTIS AG (CH) 2021-03-18 — — US disclosed
EP-3784669-A1 PTERIDINONE COMPOUNDS AND USES THEREOF Vertex Pharmaceuticals Incorporated (US) 2021-03-03 — — EP disclosed
CN-112218865-A Pteridinone compounds and uses thereof 沃泰克斯药物股份有限公司 2021-01-12 — — CN disclosed
WO-2020123674-A1 SUBSTITUTED ARYLMETHYLUREAS AND HETEROARYLMETHYLUREAS, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2020-06-18 — — WO disclosed
EP-3660018-A1 PIPERAZINE HETEROARYL DERIVATIVE, PREPARATION METHOD THEREFOR AND USE OF SAME IN MEDICINE Jiangsu Hengrui Medicine Co., Ltd. (CN) 2020-06-03 — — EP disclosed
US-20200157111-A1 PIPERAZINE HETEROARYL DERIVATIVE, PREPARATION METHOD THEREFOR AND USE OF SAME IN MEDICINE JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2020-05-21 — — US disclosed
US-20190322673-A1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2019-10-24 — — US disclosed
CN-104725329-B Isoxazole carboxylic acid compound with anti-tumor activity and synthesis method of compound 陕西科技大学 2017-01-18 — — 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 (6 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-20190322673-A1 PTERIDINONE COMPOUNDS AND USES THEREOF DPYD, PKD1, TYMP MAPK1 2266/4885TDP1 226/4885CYP3A4 1627/4885
US-11059826-B2 Pteridinone compounds and uses thereof DPYD, PKD1, TYMP MAPK1 2266/4885TDP1 226/4885CYP3A4 1627/4885
US-20210079015-A1 NOVEL DIHYDROISOXAZOLE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF HEPATITIS B XDH, SLC10A1, RORB MAPK1 4626/4885TDP1 4634/4885CYP3A4 110/4885
US-20250009742-A1 NOVEL CAPSID ASSEMBLY INHIBITORS ZC3HAV1, ZC3HAV1L, MAVS MAPK1 2676/4885TDP1 1195/4885CYP3A4 3582/4885
US-20200157111-A1 PIPERAZINE HETEROARYL DERIVATIVE, PREPARATION METHOD THEREFOR AND USE OF SAME IN MEDICINE IKZF2, WEE1, NOTUM MAPK1 3095/4885TDP1 4390/4885CYP3A4 123/4885
US-12384790-B2 Pteridinone compounds and uses thereof DPYD, PKD1, TYMP MAPK1 2266/4885TDP1 226/4885CYP3A4 1627/4885

“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.