SCHEMBL2929006

SCHEMBL2929006

O=C(CC(c1cccnc1)N1Cc2ccccc2C1=O)Nc1ccccn1

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.68
MEN1 O00255 5/20 0.68
RAB9A P51151 1/20 0.58
MAPT P10636 7/20 0.57
TP53 P04637 4/20 0.56
POLB P06746 1/20 0.48
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL2930341 0.91 KMT2A (0.73) KMT2AMEN1RAB9AMAPTTP53
SCHEMBL2928399 0.85 KMT2A (0.69) KMT2AMEN1RAB9AMAPTTP53
SCHEMBL2930743 0.84 KMT2A (0.67) KMT2AMEN1RAB9AMAPTTP53
SCHEMBL2925398 0.83 RAB9A (0.79) KMT2AMEN1RAB9AMAPTTP53
SCHEMBL2929230 0.81 KMT2A (0.66) KMT2AMEN1RAB9AMAPTTP53
SCHEMBL2928990 0.81 KMT2A (1.00) KMT2AMEN1RAB9AMAPTTP53
SCHEMBL2928891 0.81 KMT2A (0.84) KMT2AMEN1RAB9AMAPTTP53
SCHEMBL2927849 0.81 MAPT (0.69) KMT2AMEN1RAB9AMAPTTP53
SCHEMBL2930509 0.78 KMT2A (0.79) KMT2AMEN1RAB9AMAPTTP53
SCHEMBL2930576 0.78 RAB9A (0.86) KMT2AMEN1RAB9AMAPTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8431602-B2 Beta-amino acid derivatives for treatment of diabetes MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-04-30 US claimed
EP-2231640-B1 BETA-AMINO ACID DERIVATIVES FOR TREATMENT OF DIABETES MERCK PATENT GMBH (DE) 2012-06-06 EP claimed
US-20100331346-A1 BETA-AMINO ACID DERIVATIVES FOR TREATMENT OF DIABETES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-12-30 US claimed
US-8431602-B2 Beta-amino acid derivatives for treatment of diabetes MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-04-30 US disclosed
US-8431602-B2 Beta-amino acid derivatives for treatment of diabetes MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-04-30 US disclosed
US-20120142705-A1 ISATIN AND OXINDOLE COMPOUNDS KESTER ROBERT FRANCIS (US) 2012-06-07 US disclosed
EP-2231640-B1 BETA-AMINO ACID DERIVATIVES FOR TREATMENT OF DIABETES MERCK PATENT GMBH (DE) 2012-06-06 EP disclosed
EP-2231640-B1 BETA-AMINO ACID DERIVATIVES FOR TREATMENT OF DIABETES MERCK PATENT GMBH (DE) 2012-06-06 EP disclosed
US-20100331346-A1 BETA-AMINO ACID DERIVATIVES FOR TREATMENT OF DIABETES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-12-30 US disclosed
US-20100331346-A1 BETA-AMINO ACID DERIVATIVES FOR TREATMENT OF DIABETES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-12-30 US disclosed
EP-2231640-A1 BETA-AMINO ACID DERIVATIVES FOR TREATMENT OF DIABETES Merck Patent GmbH (DE) 2010-09-29 EP disclosed
WO-2009092432-A1 BETA-AMINO ACID DERIVATIVES FOR TREATMENT OF DIABETES MERCK PATENT GMBH (DE) 2009-07-30 WO disclosed
WO-2009092432-A1 BETA-AMINO ACID DERIVATIVES FOR TREATMENT OF DIABETES MERCK PATENT GMBH (DE) 2009-07-30 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 (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-20100331346-A1 BETA-AMINO ACID DERIVATIVES FOR TREATMENT OF DIABETES GPR119, GLS, GCKR KMT2A 3191/4885MEN1 3909/4885RAB9A 2655/4885
US-20120142705-A1 ISATIN AND OXINDOLE COMPOUNDS GPR119, INSR, OAT KMT2A 4201/4885MEN1 2086/4885RAB9A 1778/4885

“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.