SCHEMBL2833940

SCHEMBL2833940

Cc1ccc(C(N)C(O)c2ccc(-c3cccnc3)cc2)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 6/20 0.45
MKNK2 Q9HBH9 6/20 0.45
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 2/20 0.40
KDR P35968 1/20 0.39
CYP2A6 P11509 3/20 0.38
CYP11B2 P19099 1/20 0.38
GAA P10253 1/20 0.38
KIF11 P52732 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
CYP17A1 P05093 1/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
CYP1A2 P05177 1/20 0.37

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
SCHEMBL7817137 1.00 MKNK1 (0.45) MKNK1MKNK2MEN1KMT2ANPC1
SCHEMBL7804208 0.90 MKNK1 (0.45) MKNK1MKNK2KDRCYP2A6CYP11B2
SCHEMBL2836766 0.90 MKNK1 (0.45) MKNK1MKNK2KDRCYP2A6CYP11B2
SCHEMBL2838945 0.89 KDR (0.50) MKNK1MKNK2NPC1RAB9AKDR
SCHEMBL7804180 0.89 KDR (0.50) MKNK1MKNK2NPC1RAB9AKDR
SCHEMBL2841598 0.85 AKR1C3 (0.44) MKNK1MKNK2CYP2A6KIF11CYP17A1
SCHEMBL7813197 0.85 AKR1C3 (0.44) MKNK1MKNK2CYP2A6KIF11CYP17A1
SCHEMBL7804200 0.83 MKNK1 (0.45) MKNK1MKNK2KDRCYP2A6CYP17A1
SCHEMBL2837389 0.82 CYP11B2 (0.38) CYP11B2CYP17A1CYP3A4
SCHEMBL7811160 0.82 CYP11B2 (0.38) CYP11B2CYP17A1CYP3A4

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 3630/4885MEN1 2588/4885
US-20100210592-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS GFPT1, CEPT1, SLC18A2 MKNK1 3432/4885MKNK2 3630/4885MEN1 2588/4885

“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.