SCHEMBL4298708

SCHEMBL4298708

Cn1cc(C2C(c3c[nH]c4ccccc34)=C(O)C(=O)N2c2ccc3[nH]cnc3c2)c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 1/20 0.42
PIM1 P11309 1/20 0.42
CDK9 P50750 1/20 0.42
CCNE2 O96020 3/20 0.39
CDK4 P11802 3/20 0.39
CCND1 P24385 3/20 0.39
CCNE1 P24864 3/20 0.39
CDK2 P24941 3/20 0.39
PRKACA P17612 2/20 0.39
PRKACG P22612 2/20 0.39
PRKACB P22694 2/20 0.39
QPCT Q16769 5/20 0.38
CAMK2D Q13557 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.34
SIRT1 Q96EB6 1/20 0.34
TDO2 P48775 1/20 0.34
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 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
SCHEMBL4299806 0.84 QPCT (0.51) QPCTSIRT2SIRT1GAAFLT4
SCHEMBL4291805 0.84 QPCT (0.40) PIM1QPCTSIRT2SIRT1GAA
SCHEMBL4296079 0.83 QPCT (0.37) PIM1QPCTSIRT2SIRT1TDO2
SCHEMBL4300179 0.82 QPCT (0.38) PIM1QPCTGAACYP1A2
SCHEMBL4291102 0.81 QPCT (0.36) PIM1QPCTSIRT2SIRT1TDO2
SCHEMBL4293761 0.81 ALDH1A1 (0.42) QPCTGAACYP1A2POLBCYP2C9
SCHEMBL4299229 0.81 HPGD (0.38) PIM1QPCTSIRT2SIRT1POLB
SCHEMBL4299416 0.80 QPCT (0.35) QPCTCYP1A2POLBCYP2C9
SCHEMBL3821092 0.79 PDGFRB (0.43) PIM1QPCTSIRT2SIRT1TDO2
SCHEMBL4303915 0.79 QPCT (0.40) PIM1QPCTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2089383-B1 3-HYDR0XY-1,5-DIHYDR0-PYRR0L-2-ONE DERIVATIVES AS INHIBITORS OF GLUTAMINYL CYCLASE FOR THE TREATMENT OF ULCER, CANCER AND OTHER DISEASES PROBIODRUG AG (DE) 2015-09-16 EP claimed
US-8278345-B2 Inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2012-10-02 US claimed
US-20090269301-A1 Novel Inhibitors of Glutaminyl Cyclase PROBIODRUG AG (DE) 2009-10-29 US claimed
EP-2089383-B1 3-HYDR0XY-1,5-DIHYDR0-PYRR0L-2-ONE DERIVATIVES AS INHIBITORS OF GLUTAMINYL CYCLASE FOR THE TREATMENT OF ULCER, CANCER AND OTHER DISEASES PROBIODRUG AG (DE) 2015-09-16 EP disclosed
US-8278345-B2 Inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2012-10-02 US disclosed
US-20090269301-A1 Novel Inhibitors of Glutaminyl Cyclase PROBIODRUG AG (DE) 2009-10-29 US disclosed
WO-2008055945-A1 3-HYDR0XY-1,5-DIHYDR0-PYRR0L-2-ONE DERIVATIVES AS INHIBITORS OF GLUTAMINYL CYCLASE FOR THE TREATMENT OF ULCER, CANCER AND OTHER DISEASES PROBIODRUG AG (DE) 2008-05-15 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-20090269301-A1 Novel Inhibitors of Glutaminyl Cyclase GLS, GLS2, GLUL CCNT1 1892/4885PIM1 1479/4885CDK9 2407/4885

“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.