SCHEMBL1999856

SCHEMBL1999856

N=C(N)Nc1ccccc1N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 15/20 0.52
HDAC1 Q13547 15/20 0.52
HDAC2 Q92769 15/20 0.52
MAPK1 P28482 1/20 0.52
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
HDAC6 Q9UBN7 9/20 0.48
HDAC10 Q969S8 8/20 0.48
HDAC8 Q9BY41 8/20 0.48
HDAC4 P56524 7/20 0.48
HDAC7 Q8WUI4 7/20 0.48
HDAC11 Q96DB2 7/20 0.48
HDAC9 Q9UKV0 7/20 0.48
HDAC5 Q9UQL6 7/20 0.48
NCOR2 Q9Y618 5/20 0.48
GRIN2D O15399 1/20 0.47
GRIN3B O60391 1/20 0.47
GRIN1 Q05586 1/20 0.47
GRIN2A Q12879 1/20 0.47
GRIN2B Q13224 1/20 0.47

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
SCHEMBL2002382 0.85 GAA (0.50) MAPK1GRIN2DGRIN3BGRIN1GRIN2A
O-Tolylamine SCHEMBL6579301 0.81 CYP3A4 (0.52) MAPK1NPC1RAB9AGRIN2DGRIN3B
SCHEMBL31607070 0.80 RAB9A (0.57) NPC1RAB9ASIGMAR1MAPTMEN1
SCHEMBL11879308 0.80 RAB9A (0.57) NPC1RAB9ASIGMAR1MAPTMEN1
SCHEMBL23843812 0.80 HDAC1 (0.52) HDAC3HDAC1HDAC2MAPK1NPC1
SCHEMBL11757742 0.80 HDAC1 (0.50) HDAC3HDAC1HDAC2MAPK1NPC1
SCHEMBL11760578 0.79 GAA (0.61) HDAC3HDAC1HDAC2MAPK1NPC1
SCHEMBL2003354 0.79 GAA (0.45) MAPK1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL250263 0.79 HDAC3 (0.64) HDAC3HDAC1HDAC2MAPK1NPC1
SCHEMBL1116302 0.77 L3MBTL1 (0.61) HDAC3HDAC1HDAC2MAPK1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-62201827-A None JP disclosed
JP-62201824-A None JP disclosed
JP-1304881-A None JP disclosed
JP-8176015-A None JP disclosed
CN-109804010-B Stabilizers for adhesive, sealant and coating compositions 科思创德国股份有限公司 2021-11-12 CN disclosed
US-20120316338-A1 Methods and Intermediates for the Preparation of Optionally Radio-Labeled Imatinib SALTER RHYS (CH) 2012-12-13 US disclosed
CN-101198601-B Methods and intermediates for the preparation of optionally radio-labeled imatinib NOVARTIS AG 2011-09-07 CN disclosed
US-7960459-B2 Curable composition KANEKA CORPORATION (JP) 2011-06-14 US disclosed
EP-1990371-B1 CURABLE COMPOSITION KANEKA CORP (JP) 2010-05-05 EP disclosed
US-20090299064-A1 METHODS AND INTERMEDIATES FOR THE PREPARATION OF OPTIONALLY RADIO-LABELED IMATINIB SALTER RHYS 2009-12-03 US disclosed
EP-1896447-A2 METHODS AND INTERMEDIATES FOR THE PREPARATION OF OPTIONALLY RADIO-LABELED IMATINIB Novartis AG (CH) 2008-03-12 EP disclosed
WO-2006133904-A2 METHODS AND INTERMEDIATES FOR THE PREPARATION OF OPTIONALLY RADIO-LABELED IMATINIB NOVARTIS AG (CH) 2006-12-21 WO disclosed
JP-H08176015-A COMPOSITION CONTAINING IMMUNOGLOBULIN GREEN CROSS CORP:THE 1996-07-09 JP disclosed
JP-H01304881-A PRODUCTION OF UROKINASE PRECURSOR GREEN CROSS CORP:THE 1989-12-08 JP disclosed
JP-S62201824-A PRODUCTION OF BLOOD COAGULATION FACTOR IX COMPOSITE GREEN CROSS CORP:THE 1987-09-05 JP disclosed
JP-S62201827-A PRODUCTION OF IMMUNOGLOBULIN GREEN CROSS CORP:THE 1987-09-05 JP disclosed
US-3881018-A Substituted amidophenylguanidine fungicides BAYER AG 1975-04-29 US disclosed
US-3881018-A Substituted amidophenylguanidine fungicides BAYER AG 1975-04-29 US disclosed
US-3869503-A Substituted amidophenylguanidines BAYER AG 1975-03-04 US disclosed
US-3869503-A Substituted amidophenylguanidines BAYER AG 1975-03-04 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-20090299064-A1 METHODS AND INTERMEDIATES FOR THE PREPARATION OF OPTIONALLY RADIO-LABELED IMATINIB ABL1, PDGFRB, PDGFRA HDAC3 4098/4885HDAC1 3941/4885HDAC2 4190/4885
US-20120316338-A1 Methods and Intermediates for the Preparation of Optionally Radio-Labeled Imatinib ABL1, PDGFRB, PDGFRA HDAC3 3967/4885HDAC1 3822/4885HDAC2 4141/4885

“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.