SCHEMBL30824154

SCHEMBL30824154

CCc1c(Nc2cnc(C(F)(F)F)cc2C(=O)Nc2ccc(OC)nc2C)ccc(F)c1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 2/20 0.37
▸ P2RX7 Q99572 6/20 0.37
▸ LMNA P02545 1/20 0.37
▸ RAF1 P04049 1/20 0.34
▸ BRAF P15056 1/20 0.34
▸ GPR6 P46095 1/20 0.34
▸ HPGD P15428 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ SCN10A Q9Y5Y9 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ POLQ O75417 1/20 0.33
▸ KCNQ3 O43525 1/20 0.33
▸ KCNQ2 O43526 1/20 0.33
▸ KCNQ4 P56696 1/20 0.33
▸ KCNQ5 Q9NR82 1/20 0.33
▸ JAK2 O60674 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
SCHEMBL24552895 1.00 DHODH (0.37) DHODHP2RX7LMNARAF1BRAF
SCHEMBL24549979 0.90 LMNA (0.39) DHODHP2RX7LMNAGPR6HPGD
SCHEMBL30824185 0.86 MRGPRX1 (0.38) DHODHP2RX7LMNAGPR6HPGD
SCHEMBL27170879 0.86 MRGPRX1 (0.38) DHODHP2RX7LMNAGPR6HPGD
SCHEMBL30824165 0.83 GPR6 (0.39) DHODHLMNAGPR6SCN10APOLQ
SCHEMBL24550773 0.83 GPR6 (0.39) DHODHLMNAGPR6SCN10APOLQ
SCHEMBL24550928 0.82 DHODH (0.39) DHODHP2RX7LMNARAF1BRAF
SCHEMBL30824148 0.82 DHODH (0.39) DHODHP2RX7LMNARAF1BRAF
SCHEMBL24550099 0.80 KCNQ3 (0.39) P2RX7BRAFALDH1A1HTTSMN1; SMN2
SCHEMBL30824157 0.80 KCNQ3 (0.39) P2RX7BRAFALDH1A1HTTSMN1; SMN2

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-20240083896-A1 Nitrogen Containing 2,3-Dihydroquinazolinone Compounds as Nav1.8 Inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2024-03-14 — — 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-20240083896-A1 Nitrogen Containing 2,3-Dihydroquinazolinone Compounds as Nav1.8 Inhibitors SCN8A, SCN1A, SCN2A DHODH 828/4885P2RX7 255/4885LMNA 794/4885

“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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