SCHEMBL1436022

SCHEMBL1436022

Cc1oc(-c2ccccc2Cl)nc1CCl

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
MAPK1 P28482 1/20 0.53
SMN1; SMN2 Q16637 4/20 0.52
ALDH1A1 P00352 4/20 0.52
LMNA P02545 4/20 0.52
POLB P06746 2/20 0.52
TP53 P04637 2/20 0.52
PTBP1 P26599 1/20 0.52
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
MAPT P10636 4/20 0.50
PLA2G1B P04054 1/20 0.50
ATG4B Q9Y4P1 1/20 0.50
KDM4E B2RXH2 2/20 0.49
NPC1 O15118 2/20 0.49
HPGD P15428 2/20 0.49
RAB9A P51151 1/20 0.49

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
SCHEMBL3981354 0.85 ALDH1A1 (0.50) MEN1KMT2AMAPK1SMN1; SMN2ALDH1A1
SCHEMBL4363143 0.83 POLB (0.51) MEN1KMT2AMAPK1SMN1; SMN2ALDH1A1
SCHEMBL17596059 0.81 NPC1 (0.47) MAPK1SMN1; SMN2ALDH1A1POLBTP53
SCHEMBL4360943 0.80 PDE4B (0.49) MAPK1POLBTP53CYP1A2CYP3A4
SCHEMBL4373383 0.80 PDE4B (0.55) MEN1KMT2AMAPK1ALDH1A1LMNA
SCHEMBL5539532 0.80 TP53 (0.55) MEN1KMT2AMAPK1SMN1; SMN2ALDH1A1
SCHEMBL17338678 0.78 CHRM5 (0.46) MEN1KMT2AMAPK1SMN1; SMN2ALDH1A1
SCHEMBL503999 0.78 KDM4E (0.64) MEN1KMT2AALDH1A1LMNATP53
SCHEMBL5782319 0.77 PPARG (0.46) MEN1KMT2AMAPK1ALDH1A1LMNA
SCHEMBL5539525 0.77 TP53 (0.52) MEN1KMT2AMAPK1SMN1; SMN2ALDH1A1

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1441719-B1 N-SUBSTITUTED PYRROLIDIN DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS HOFFMANN LA ROCHE (CH) 2011-03-30 EP disclosed
US-7803819-B2 DPP IV inhibitors HOFFMANN-LA ROCHE INC. (US) 2010-09-28 US disclosed
CN-1713907-B N-substituted pyrrolidine derivatives as dipeptidyl peptidase IV inhibitors HOFFMANN LA ROCHE 2010-05-26 CN disclosed
CN-101031540-B Hexafluoroisopropanol substituted ether derivatives HOFFMANN LA ROCHE 2010-05-26 CN disclosed
CN-100577660-C N-substituted-1H-indol-5-propionic acid compounds as PPAR agonists used for the treatment of diabetes HOFFMANN LA ROCHE 2010-01-06 CN disclosed
US-7473705-B2 Hexafluoroisopropanol substituted ether derivatives HOFFMANN-LA ROCHE INC. (US) 2009-01-06 US disclosed
EP-1802566-B1 HEXAFLUOROISOPROPANOL SUBSTITUTED ETHER DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-11-26 EP disclosed
EP-1567523-B1 INDOLYL DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-08-20 EP disclosed
US-7314884-B2 non-insulin dependent diabetes mellitus, and impaired glucose tolerance; dipeptidyl peptidase IV (DPP-IV) inhibitors eg (2S)-1-{[(1S)-2-(5-cyano-2-methyl-indol-1-yl)-1-methyl-ethylamino]-acetyl}-pyrrolidine-2-carbonitrile HOFFMANN-LA ROCHE INC. (US) 2008-01-01 US disclosed
US-20070259925-A1 DPP IV INHIBITORS BOEHRINGER MARKUS 2007-11-08 US disclosed
WO-2004048371-A1 INDOLYL DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2004-06-10 WO disclosed
US-20040106657-A1 Indolyl derivatives F. HOFFMANN-LA ROCHE AG (CH) 2004-06-03 US disclosed
WO-2004024726-A1 N-SUBSTITUTED-1H-INDOL-5-PROPIONIC ACID COMPOUNDS AS PPAR AGONISTS USEFUL FOR THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2004-03-25 WO disclosed
US-20040053979-A1 Indolyl derivatives F. HOFFMANN-LA ROCHE AG (CH) 2004-03-18 US disclosed
EP-1392295-A1 CARBOXYLIC ACID SUBSTITUTED OXAZOLE DERIVATIVES FOR USE AS PPAR-ALPHA AND -GAMMA ACTIVATORS IN THE TREATMENT OF DIABETES F. Hoffmann-La Roche AG (CH) 2004-03-03 EP disclosed
US-6642389-B2 For therapy of diabetes HOFFMANN-LA ROCHE INC. 2003-11-04 US disclosed
US-20030130281-A1 DPP IV inhibitors HOFFMAN-LA ROCHE INC. 2003-07-10 US disclosed
WO-2003037327-A1 N-SUBSTITUTED PYRROLIDIN DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS F. HOFFMANN-LA-ROCHE AG (CH) 2003-05-08 WO disclosed
US-20030055265-A1 Oxazole derivatives HOFFMANN-LA ROCHE INC. 2003-03-20 US disclosed
WO-2002092084-A1 CARBOXYLIC ACID SUBSTITUTED OXAZOLE DERIVATIVES FOR USE AS PPAR-ALPHA AND -GAMMA ACTIVATORS IN THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2002-11-21 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-20040106657-A1 Indolyl derivatives GPR119, IRS1, INSR MEN1 760/4885KMT2A 2935/4885MAPK1 1025/4885
US-20040053979-A1 Indolyl derivatives UGT1A8, CYP2C8, UGT1A1 MEN1 1022/4885KMT2A 2299/4885MAPK1 2463/4885
US-20070259925-A1 DPP IV INHIBITORS DPP4, DPP3, DPP7 MEN1 3856/4885KMT2A 2992/4885MAPK1 1364/4885
US-20030055265-A1 Oxazole derivatives PPARD, PPARA, PPARG MEN1 4859/4885KMT2A 4142/4885MAPK1 1795/4885
US-20030130281-A1 DPP IV inhibitors DPP4, DPP3, DPP7 MEN1 3537/4885KMT2A 2888/4885MAPK1 513/4885

“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.