SCHEMBL6806741

SCHEMBL6806741

NC1CCN(c2cc3c(cc2F)c(=O)n(O)c(=O)n3-c2ccc(F)c(Cl)c2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.43
PIM3 Q86V86 2/20 0.43
PRKD3 O94806 1/20 0.43
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 0.43
IRAK1 P51617 1/20 0.43
RPS6KA3 P51812 1/20 0.43
DYRK1A Q13627 1/20 0.43
CSNK1G3 Q9Y6M4 1/20 0.43
TOP1 P11387 2/20 0.42
TMEM97 Q5BJF2 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
F10 P00742 2/20 0.37
ALDH1A1 P00352 2/20 0.36
HSP90AA1 P07900 1/20 0.36
POLB P06746 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35

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
SCHEMBL6797144 0.88 PRKD3 (0.45) PIM1PIM3PRKD3GSK3AGSK3B
Hydrochloric Acid SCHEMBL7006179 0.87 PRKD3 (0.44) PIM1PIM3PRKD3GSK3AGSK3B
SCHEMBL6806917 0.86 PRKD3 (0.43) PIM1PIM3PRKD3GSK3AGSK3B
SCHEMBL6798617 0.84 PRKD3 (0.44) PIM1PIM3PRKD3GSK3AGSK3B
SCHEMBL7008713 0.84 TOP1 (0.41) PIM1PIM3PRKD3GSK3AGSK3B
Hydrochloric Acid SCHEMBL7007125 0.83 PRKD3 (0.43) PIM1PIM3PRKD3GSK3AGSK3B
SCHEMBL6803829 0.83 PIM1 (0.47) PIM1PIM3PRKD3GSK3AGSK3B
SCHEMBL6800253 0.83 PRKD3 (0.43) PIM1PIM3PRKD3GSK3AGSK3B
SCHEMBL6800528 0.82 KMT2A (0.45) ALDH1A1KMT2ABRD9MAPT
SCHEMBL6803225 0.82 KMT2A (0.47) PIM1PIM3PRKD3GSK3AGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1028950-B1 7-SUBSTITUTED QUINAZOLIN-2,4-DIONES USEFUL AS ANTIBACTERIAL AGENTS WARNER LAMBERT CO (US) 2003-05-02 EP claimed
US-20020115674-A1 Novel 7-substituted quinazolin-2,4-diones useful as antibacterial agents DOMAGALA JOHN MICHAEL (US) 2002-08-22 US claimed
US-6825199-B2 7-Substituted quinazolin-2,4-diones useful as antibacterial agents WARNER-LAMBERT COMPANY 2004-11-30 US disclosed
EP-1028950-B1 7-SUBSTITUTED QUINAZOLIN-2,4-DIONES USEFUL AS ANTIBACTERIAL AGENTS WARNER LAMBERT CO (US) 2003-05-02 EP disclosed
US-20020115674-A1 Novel 7-substituted quinazolin-2,4-diones useful as antibacterial agents DOMAGALA JOHN MICHAEL (US) 2002-08-22 US disclosed
US-6331538-B1 TREATMENT OF BACTERIAL INFECTION WARNER-LAMBERT COMPANY 2001-12-18 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-20020115674-A1 Novel 7-substituted quinazolin-2,4-diones useful as antibacterial agents NQO2, TOP1, TOP2A PIM1 2808/4885PIM3 2414/4885PRKD3 1822/4885

“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.