SCHEMBL29947309

SCHEMBL29947309

Cc1c(N)ccc(F)c1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.43
TSHR P16473 2/20 0.43
PIK3CA P42336 1/20 0.43
ALDH1A1 P00352 4/20 0.39
TDP1 Q9NUW8 2/20 0.35
TP53 P04637 1/20 0.35
THRB P10828 1/20 0.35
ALOX15 P16050 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
BACE1 P56817 2/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
CA5A P35218 1/20 0.31
CA7 P43166 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
SCHEMBL6648558 1.00 CYP3A4 (0.43) CYP3A4TSHRPIK3CAALDH1A1TDP1
SCHEMBL5241664 0.81 CYP3A4 (0.46) CYP3A4TSHRPIK3CAALDH1A1TDP1
SCHEMBL16805981 0.79 CYP3A4 (0.43) CYP3A4TSHRPIK3CAALDH1A1TDP1
SCHEMBL6832095 0.79 CYP3A4 (0.43) CYP3A4TSHRPIK3CAALDH1A1TDP1
SCHEMBL2284180 0.79 ALDH1A1 (0.39) CYP3A4TSHRPIK3CAALDH1A1TDP1
SCHEMBL172114 0.77 ACHE (0.36) HDAC4CES2CES1ACHE
SCHEMBL14631792 0.75 ALDH1A1 (0.48) CYP3A4TSHRPIK3CAALDH1A1TDP1
SCHEMBL150967 0.75 CYP3A4 (0.40) CYP3A4TSHRPIK3CAALDH1A1TDP1
SCHEMBL16760493 0.75 CYP3A4 (0.40) CYP3A4TSHRPIK3CAALDH1A1TDP1
SCHEMBL6561003 0.75 CYP3A4 (0.40) CYP3A4TSHRPIK3CAALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117049938-B Preparation method of 6-bromo-2, 3-difluorotoluene 山东轩德医药科技有限公司 2024-06-14 CN claimed
CN-117049938-A Preparation method of 6-bromo-2, 3-difluorotoluene 山东轩德医药科技有限公司 2023-11-14 CN claimed
EP-4713330-A1 TRICYCLIC COMPOUNDS AND USES THEREOF HUTCHMED Limited (CN) 2026-03-25 EP disclosed
WO-2024235286-A1 TRICYCLIC COMPOUNDS AND USES THEREOF HUTCHMED LIMITED (CN) 2024-11-21 WO disclosed
CN-117049938-B Preparation method of 6-bromo-2, 3-difluorotoluene 山东轩德医药科技有限公司 2024-06-14 CN disclosed
CN-117049938-B Preparation method of 6-bromo-2, 3-difluorotoluene 山东轩德医药科技有限公司 2024-06-14 CN disclosed
CN-115232144-B Nitrogen-containing condensed ring derivative, pharmaceutical composition, and preparation method and application thereof 长春金赛药业有限责任公司 2024-04-02 CN disclosed
US-20240083896-A1 Nitrogen Containing 2,3-Dihydroquinazolinone Compounds as Nav1.8 Inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2024-03-14 US disclosed
CN-117049938-A Preparation method of 6-bromo-2, 3-difluorotoluene 山东轩德医药科技有限公司 2023-11-14 CN disclosed
CN-117049938-A Preparation method of 6-bromo-2, 3-difluorotoluene 山东轩德医药科技有限公司 2023-11-14 CN disclosed
CN-116601153-A Nitrogen-containing 2, 3-dihydroquinazolinone compounds as NAV1.8 inhibitors 葛兰素史密斯克莱知识产权发展有限公司 2023-08-15 CN disclosed
US-20230103791-A1 2,3-DIHYDROQUINAZOLIN COMPOUNDS AS NAV1.8 INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-04-06 US disclosed
CN-115087655-A Benzimidazole derivatives 辉瑞公司 2022-09-20 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 (2 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-20240083896-A1 Nitrogen Containing 2,3-Dihydroquinazolinone Compounds as Nav1.8 Inhibitors SCN8A, SCN1A, SCN2A CYP3A4 1441/4885TSHR 4372/4885PIK3CA 1883/4885
US-20230103791-A1 2,3-DIHYDROQUINAZOLIN COMPOUNDS AS NAV1.8 INHIBITORS SCN8A, SCN1A, SCN1B CYP3A4 2550/4885TSHR 2555/4885PIK3CA 2917/4885

“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.