SCHEMBL22853019

SCHEMBL22853019

N#Cc1cc(Cl)c(OC(F)F)cc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV4 Q9HBA0 2/20 0.39
▸ CYP2D6 P10635 2/20 0.37
▸ SLC6A2 P23975 2/20 0.37
▸ SLC6A4 P31645 2/20 0.37
▸ NOS2 P35228 2/20 0.37
▸ MAPT P10636 5/20 0.35
▸ ALDH1A1 P00352 5/20 0.35
▸ MEN1 O00255 4/20 0.35
▸ KMT2A Q03164 4/20 0.35
▸ MRGPRX4 Q96LA9 1/20 0.35
▸ KHK P50053 1/20 0.34
▸ SLC22A12 Q96S37 2/20 0.34
▸ HTT P42858 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ CYP11B2 P19099 4/20 0.33
▸ CYP11B1 P15538 3/20 0.33
▸ LMNA P02545 2/20 0.32
▸ SRC P12931 1/20 0.32

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
SCHEMBL3532342 0.78 CYP2D6 (0.40) TRPV4CYP2D6SLC6A2SLC6A4NOS2
SCHEMBL8462168 0.75 TRPV4 (0.52) TRPV4ALDH1A1KHKCYP11B2CYP11B1
SCHEMBL10947192 0.73 TRPV4 (0.56) TRPV4CYP2D6SLC6A2SLC6A4NOS2
SCHEMBL29513067 0.73 TRPV4 (0.50) TRPV4CYP2D6SLC6A2SLC6A4NOS2
SCHEMBL286611 0.73 TRPV4 (0.50) TRPV4CYP2D6SLC6A2SLC6A4NOS2
SCHEMBL24696677 0.73 GAA (0.38) MAPTALDH1A1MEN1KMT2AHTT
SCHEMBL30892374 0.73 GAA (0.38) MAPTALDH1A1MEN1KMT2AHTT
SCHEMBL31432597 0.72 TRPV4 (0.36) TRPV4CYP2D6SLC6A2SLC6A4NOS2
SCHEMBL5844776 0.71 NOS2 (0.32) TRPV4CYP2D6SLC6A2SLC6A4NOS2
SCHEMBL6153696 0.71 SCN9A (0.36) TRPV4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114040911-B As NAV1.8 2, 3-Dihydro-quinazoline Compounds as inhibitors 葛兰素史密斯克莱知识产权发展有限公司 2024-10-22 — — 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-114040911-A As NAV1.8 inhibitors of 2, 3-dihydroquinazoline compounds 葛兰素史密斯克莱知识产权发展有限公司 2022-02-11 — — CN disclosed
WO-2020261114-A1 2,3-DIHYDROQUINAZOLIN COMPOUNDS AS NAV1.8 INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-12-30 — — 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 (1 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-20230103791-A1 2,3-DIHYDROQUINAZOLIN COMPOUNDS AS NAV1.8 INHIBITORS SCN8A, SCN1A, SCN1B TRPV4 81/4885CYP2D6 1353/4885SLC6A2 205/4885

“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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