SCHEMBL30294697

SCHEMBL30294697

COC(=O)c1cc(Cl)c(F)cc1Nc1ccc(OC(F)(F)F)cc1C

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 11/20 0.47
KDR P35968 2/20 0.40
BRAF P15056 1/20 0.40
SCN9A Q15858 1/20 0.40
FFAR4 Q5NUL3 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
RAB9A P51151 1/20 0.38
AKR1C2 P52895 1/20 0.38
AKR1C1 Q04828 1/20 0.38
ABL1 P00519 1/20 0.37
DHODH Q02127 1/20 0.37

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
SCHEMBL22853041 1.00 P2RX7 (0.47) P2RX7KDRBRAFSCN9AFFAR4
SCHEMBL22853085 0.91 AKR1C2 (0.46) P2RX7KDRBRAFSCN9AFFAR4
SCHEMBL30294438 0.91 AKR1C2 (0.46) P2RX7KDRBRAFSCN9AFFAR4
SCHEMBL22852997 0.84 MAPK13 (0.47) RAB9A
SCHEMBL30294798 0.84 MAPK13 (0.47) RAB9A
SCHEMBL22853059 0.82 P2RX7 (0.44) P2RX7KDRBRAFDHODH
SCHEMBL30294481 0.82 P2RX7 (0.44) P2RX7KDRBRAFDHODH
SCHEMBL22853358 0.81 P2RX7 (0.44) P2RX7KDRBRAFFFAR4RAB9A
SCHEMBL30294670 0.81 P2RX7 (0.44) P2RX7KDRBRAFFFAR4RAB9A
SCHEMBL22853208 0.81 KDR (0.42) P2RX7KDRBRAFRAB9AABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230103791-A1 2,3-DIHYDROQUINAZOLIN COMPOUNDS AS NAV1.8 INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-04-06 US 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 P2RX7 109/4885KDR 2754/4885BRAF 1530/4885

“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.