SCHEMBL12502248

SCHEMBL12502248

CCOC(=O)c1cc(C2CC2)c2c(C)c(-c3ccc4[nH]ncc4c3)c(F)cn2c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.42
JAK3 P52333 1/20 0.42
EGFR P00533 1/20 0.41
ERBB2 P04626 1/20 0.41
DHODH Q02127 1/20 0.36
ROCK2 O75116 2/20 0.35
NPC1 O15118 1/20 0.35
ROCK1 Q13464 1/20 0.35
PIK3CD O00329 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KCNH2 Q12809 1/20 0.35
MAPK14 Q16539 1/20 0.35
KDM4E B2RXH2 2/20 0.34
GLA P06280 2/20 0.34
GAA P10253 2/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL12502355 0.89 FABP4 (0.38) JAK2JAK3ROCK2ROCK1CYP1A2
Potassium Ion SCHEMBL12502242 0.88 CYP1A2 (0.36) JAK2ROCK2ROCK1CYP1A2CYP3A4
SCHEMBL12502407 0.84 MAPK14 (0.41) JAK2JAK3EGFRERBB2ROCK2
SCHEMBL12501961 0.83 KDM4E (0.38) NPC1CYP1A2CYP2C19KDM4EGLA
SCHEMBL1290104 0.82 KDM4E (0.36) NPC1CYP1A2CYP2C19KDM4EGLA
SCHEMBL12502207 0.82 CDK5 (0.42) ROCK2NPC1ROCK1CYP1A2CYP2C19
SCHEMBL1289979 0.82 GAA (0.39) JAK2JAK3NPC1CYP1A2CYP3A4
SCHEMBL12502390 0.82 ALOX5AP (0.38) NPC1CYP1A2CYP2C19KDM4EGLA
SCHEMBL12501979 0.81 MAPK14 (0.40) JAK2ROCK2ROCK1CYP1A2CYP3A4
SCHEMBL1289972 0.81 KDM4E (0.36) NPC1CYP1A2CYP2C19KDM4EGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3476844-B1 ANTIMICROBIAL 4-OXOQUINOLIZINES EMERGENT PRODUCT DEV GAITHERSBURG INC (US) 2020-11-11 EP disclosed
EP-3476844-A1 ANTIMICROBIAL 4-OXOQUINOLIZINES Emergent Product Development Gaithersburg Inc. (US) 2019-05-01 EP disclosed
US-20190105367-A1 ANTIMICROBIAL 4-OXOQUINOLIZINES EMERGENT PRODUCT DEVELOPMENT GAITHERSBURG INC. (US) 2019-04-11 US disclosed
US-10155021-B2 Antimicrobial 4-oxoquinolizines EMERGENT PRODUCT DEVELOPMENT GAITHERSBURG INC. (US) 2018-12-18 US disclosed
EP-3312176-A1 ANTIMICROBIAL 4-OXOQUINOLIZINES Emergent Product Development Gaithersburg Inc. (US) 2018-04-25 EP disclosed
US-20170232060-A9 ANTIMICROBIAL 4-OXOQUINOLIZINES EMERGENT PRODUCT DEVELOPMENT GAITHERSBURG INC. 2017-08-17 US disclosed
US-20170106045-A1 ANTIMICROBIAL 4-OXOQUINOLIZINES EMERGENT PRODUCT DEVELOPMENT GAITHERSBURG INC. 2017-04-20 US disclosed
US-9403818-B2 Antimicrobial 4-oxoquinolizines EMERGENT PRODUCT DEVELOPMENT GAITHERSBURG INC. (US) 2016-08-02 US disclosed
EP-2670410-A1 ANTIMICROBIAL 4-OXOQUINOLIZINES Evolva SA (CH) 2013-12-11 EP disclosed
US-20130252882-A1 ANTIMICROBIAL 4-OXOQUINOLIZINES EVOLVA SA (CH) 2013-09-26 US disclosed
WO-2012104305-A1 ANTIMICROBIAL 4-OXOQUINOLIZINES EVOLVA SA (CH) 2012-08-09 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 (5 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-20190105367-A1 ANTIMICROBIAL 4-OXOQUINOLIZINES CUL4A, DCAF15, CUL4B JAK2 2980/4885JAK3 2969/4885EGFR 4173/4885
US-10155021-B2 Antimicrobial 4-oxoquinolizines DCAF15, CUL4A, CUL4B JAK2 3344/4885JAK3 3298/4885EGFR 4289/4885
US-20170106045-A1 ANTIMICROBIAL 4-OXOQUINOLIZINES CUL4A, DCAF15, CUL4B JAK2 2980/4885JAK3 2969/4885EGFR 4173/4885
US-20170232060-A9 ANTIMICROBIAL 4-OXOQUINOLIZINES CUL4A, DCAF15, CUL4B JAK2 2980/4885JAK3 2969/4885EGFR 4173/4885
US-20130252882-A1 ANTIMICROBIAL 4-OXOQUINOLIZINES CUL4A, DCAF15, CUL4B JAK2 2980/4885JAK3 2969/4885EGFR 4173/4885

“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.