SCHEMBL118914

SCHEMBL118914

CCOC(=O)c1cn2cccc(CO)c2n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.55
ALDH1A1 P00352 3/20 0.55
HPGD P15428 3/20 0.55
POLB P06746 1/20 0.52
CYP1A2 P05177 2/20 0.48
GAA P10253 3/20 0.47
GABRA2 P47869 7/20 0.45
GABRB2 P47870 7/20 0.45
SMN1; SMN2 Q16637 4/20 0.44
MAPT P10636 4/20 0.44
RAB9A P51151 3/20 0.44
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HCRTR1 O43613 1/20 0.41
TP53 P04637 1/20 0.41
ALOX15 P16050 1/20 0.41

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
SCHEMBL7274828 0.92 KDM4E (0.58) KDM4EALDH1A1HPGDPOLBCYP1A2
SCHEMBL8607273 0.88 KDM4E (0.54) KDM4EALDH1A1HPGDPOLBCYP1A2
SCHEMBL119058 0.86 KDM4E (0.52) KDM4EALDH1A1HPGDPOLBCYP1A2
SCHEMBL102433 0.85 KDM4E (0.59) KDM4EALDH1A1HPGDPOLBCYP1A2
SCHEMBL8604839 0.84 KDM4E (0.50) KDM4EALDH1A1HPGDPOLBCYP1A2
SCHEMBL9090050 0.84 KDM4E (0.58) KDM4EALDH1A1HPGDPOLBCYP1A2
SCHEMBL117700 0.84 KDM4E (0.58) KDM4EALDH1A1HPGDPOLBCYP1A2
SCHEMBL118201 0.83 ALDH1A1 (0.56) KDM4EALDH1A1HPGDPOLBCYP1A2
SCHEMBL8190856 0.82 KDM4E (0.55) KDM4EALDH1A1HPGDPOLBCYP1A2
SCHEMBL1202722 0.82 KDM4E (0.55) KDM4EALDH1A1HPGDPOLBCYP1A2

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-20120101093-A1 SUBSTITUTED IMIDAZO[1,2-A]PYRIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE AS BETA-SECRETASE INHIBITORS HIGH POINT PHARMACEUTICALS, LLC (US) 2012-04-26 US disclosed
EP-2424866-A1 SUBSTITUTED IMIDAZO[1,2-A]PYRIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE AS -SECRETASE INHIBITORS High Point Pharmaceuticals, LLC (US) 2012-03-07 EP disclosed
WO-2010126745-A1 SUBSTITUTED IMIDAZO[1,2-A]PYRIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE AS β-SECRETASE INHIBITORS HIGH POINT PHARMACEUTICALS, LLC (US) 2010-11-04 WO disclosed
US-5716964-A BRAIN DISORDERS; ANTIISCHEMIC AGENTS G.D. SEARLE & CO. (US) 1998-02-10 US disclosed
EP-0436831-A2 Imidazo[1,2-a]pyridinylalkyl compounds for treatment of neurotoxic injury G.D. Searle & Co. (US) 1991-07-17 EP disclosed
WO-1991008211-A1 IMIDAZO[1,2-a]PYRIDINYLALKYL COMPOUNDS FOR TREATMENT OF NEUROTOXIC INJURY G.D. SEARLE & CO. (US) 1991-06-13 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-20120101093-A1 SUBSTITUTED IMIDAZO[1,2-A]PYRIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE AS BETA-SECRETASE INHIBITORS BACE1, BACE2, APP KDM4E 2967/4885ALDH1A1 2155/4885HPGD 2417/4885

“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.