SCHEMBL3934336

SCHEMBL3934336

C=C(OCCCC)c1ccnc2c(F)cc(OC)cc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 1/20 0.39
CCNE2 O96020 1/20 0.39
CDK1 P06493 1/20 0.39
CDK4 P11802 1/20 0.39
CCNB1 P14635 1/20 0.39
CCND1 P24385 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
CCND2 P30279 1/20 0.39
CCND3 P30281 1/20 0.39
CCNB3 Q8WWL7 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 1/20 0.36
KDM4E B2RXH2 3/20 0.35
PLA2G2A P14555 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
SCHEMBL27588449 0.73 KDM4E (0.60) LMNAKDM4E
SCHEMBL3247218 0.72 LMNA (0.42) NPC1RAB9ACYP1A2CYP2C9CYP2C19
SCHEMBL2923376 0.70 NOS3 (0.40) NPC1RAB9ACYP1A2CYP2C9CYP2C19
SCHEMBL3375901 0.68 CCR1 (0.38) CYP1A2CYP2C9CYP2C19LMNAKDM4E
SCHEMBL18544288 0.68 CCR1 (0.38) CYP1A2CYP2C9CYP2C19LMNAKDM4E
SCHEMBL4279169 0.68 NOS3 (0.43) CYP1A2CYP2C9CYP2C19KDM4EDYRK1A
SCHEMBL3278346 0.67 KDM4E (0.39) CYP1A2CYP2C9CYP2C19LMNAKDM4E
Hydrochloric Acid SCHEMBL5748572 0.67 NOS3 (0.42) CYP1A2CYP2C9CYP2C19SMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL6640376 0.67 NOS3 (0.42) CYP1A2CYP2C9CYP2C19SMN1; SMN2KDM4E
SCHEMBL20687484 0.66 CA1 (0.39) CYP1A2CYP2C9CYP2C19LMNADYRK1A

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
US-7491714-B2 Quinolines and nitrogenated derivatives thereof and their use as antibacterial agents GLAXO GROUP LIMITED (GB) 2009-02-17 US disclosed
EP-1567520-B1 QUINOLINES AND NITROGENATED DERIVATIVES THEREOF AND THEIR USE AS ANTIBACTERIAL AGENTS GLAXO GROUP LTD (GB) 2008-10-15 EP disclosed
EP-1567520-A4 QUINOLINES AND NITROGENATED DERIVATIVES THEREOF AND THEIR USE AS ANTIBACTERIAL AGENTS GLAXO GROUP LTD (GB) 2006-08-02 EP disclosed
US-20060116512-A1 Quinolines and nitrogenated derivatives thereof and their use as antibacterial agents GLAXO GROUP LIMITED (GB) 2006-06-01 US disclosed
EP-1567520-A2 QUINOLINES AND NITROGENATED DERIVATIVES THEREOF AND THEIR USE AS ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2005-08-31 EP disclosed
WO-2004050036-A2 QUINOLINES AND NITROGENATED DERIVATIVES THEREOF AND THEIR USE AS ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2004-06-17 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-20060116512-A1 Quinolines and nitrogenated derivatives thereof and their use as antibacterial agents NQO2, NQO1, NPM1 CCNB2 2673/4885CCNE2 1582/4885CDK1 1539/4885

“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.