SCHEMBL30294288

SCHEMBL30294288

COc1ccc(NC(=O)c2cc(Cl)c(C#N)nc2Nc2ccc(OC(F)(F)F)cc2C)c(C)n1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 5/20 0.37
▸ GPR6 P46095 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ ABL1 P00519 2/20 0.34
▸ POLQ O75417 1/20 0.34
▸ F10 P00742 1/20 0.34
▸ SCN10A Q9Y5Y9 1/20 0.33
▸ DHODH Q02127 1/20 0.33
▸ CHRNA7 P36544 1/20 0.33
▸ PTGS2 P35354 1/20 0.33

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
SCHEMBL22853493 1.00 P2RX7 (0.37) P2RX7GPR6ALDH1A1HPGDTSHR
SCHEMBL30294371 0.88 HPGD (0.39) P2RX7GPR6ALDH1A1HPGDTSHR
SCHEMBL22853487 0.88 HPGD (0.39) P2RX7GPR6ALDH1A1HPGDTSHR
SCHEMBL22853042 0.85 P2RX7 (0.41) P2RX7ALDH1A1HPGDABL1SCN10A
SCHEMBL30294279 0.85 P2RX7 (0.41) P2RX7ALDH1A1HPGDABL1SCN10A
SCHEMBL22853352 0.84 DHODH (0.43) P2RX7DHODH
SCHEMBL30294359 0.84 DHODH (0.43) P2RX7DHODH
SCHEMBL22853059 0.82 P2RX7 (0.44) P2RX7ALDH1A1HPGDTSHRHTT
SCHEMBL30294481 0.82 P2RX7 (0.44) P2RX7ALDH1A1HPGDTSHRHTT
SCHEMBL22853069 0.81 GPR6 (0.44) P2RX7GPR6POLQF10DHODH

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 109/4885GPR6 1563/4885ALDH1A1 3102/4885

“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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