SCHEMBL2836766

SCHEMBL2836766

Cc1cc(C(N)C(O)c2ccc(-c3cccnc3)cc2)ccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 7/20 0.45
MKNK2 Q9HBH9 7/20 0.45
KDR P35968 1/20 0.42
HTT P42858 1/20 0.39
CYP2A6 P11509 3/20 0.38
NPY5R Q15761 1/20 0.38
KIF11 P52732 1/20 0.38
CYP17A1 P05093 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP11B2 P19099 1/20 0.36
ADORA2A P29274 1/20 0.36

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
SCHEMBL7804208 1.00 MKNK1 (0.45) MKNK1MKNK2KDRHTTCYP2A6
SCHEMBL2833940 0.90 MKNK1 (0.45) MKNK1MKNK2KDRHTTCYP2A6
SCHEMBL7817137 0.90 MKNK1 (0.45) MKNK1MKNK2KDRHTTCYP2A6
SCHEMBL7804180 0.89 KDR (0.50) MKNK1MKNK2KDRCYP2A6NPY5R
SCHEMBL2838945 0.89 KDR (0.50) MKNK1MKNK2KDRCYP2A6NPY5R
SCHEMBL7804200 0.85 MKNK1 (0.45) MKNK1MKNK2KDRCYP2A6NPY5R
SCHEMBL2841598 0.83 AKR1C3 (0.44) MKNK1MKNK2CYP2A6KIF11CYP17A1
SCHEMBL7813197 0.83 AKR1C3 (0.44) MKNK1MKNK2CYP2A6KIF11CYP17A1
SCHEMBL7803951 0.82 CYP19A1 (0.46) MKNK1MKNK2CYP2A6NPY5RCYP17A1
SCHEMBL2839284 0.82 CYP19A1 (0.46) MKNK1MKNK2CYP2A6NPY5RCYP17A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2398558-A1 AMINE OR AMINO ALCOHOLS AS GLYT1 INHIBITORS F. Hoffmann-La Roche AG (CH) 2011-12-28 EP claimed
WO-2010094659-A1 AMINE OR AMINO ALCOHOLS AS GLYT1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-08-26 WO claimed
US-20100210592-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS HOFFMANN-LA ROCHE, INC. 2010-08-19 US claimed
US-8367838-B2 Amines or amino alcohols as GLYT1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2013-02-05 US disclosed
US-20120232033-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS KOLCZEWSKI SABINE (DE) 2012-09-13 US disclosed
EP-2398558-A1 AMINE OR AMINO ALCOHOLS AS GLYT1 INHIBITORS F. Hoffmann-La Roche AG (CH) 2011-12-28 EP disclosed
WO-2010094659-A1 AMINE OR AMINO ALCOHOLS AS GLYT1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-08-26 WO disclosed
US-20100210592-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS HOFFMANN-LA ROCHE, INC. 2010-08-19 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 (2 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-20120232033-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS GFPT1, CEPT1, SLC18A2 MKNK1 3432/4885MKNK2 3630/4885KDR 4149/4885
US-20100210592-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS GFPT1, CEPT1, SLC18A2 MKNK1 3432/4885MKNK2 3630/4885KDR 4149/4885

“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.