SCHEMBL4487993

SCHEMBL4487993

NC(=O)c1cnc(Nc2ccccc2)nc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 6/20 0.68
AURKA O14965 1/20 0.59
JAK2 O60674 1/20 0.59
AURKB Q96GD4 1/20 0.59
HDAC3 O15379 5/20 0.52
HDAC1 Q13547 5/20 0.52
HDAC2 Q92769 5/20 0.52
HCAR3 P49019 1/20 0.51
MAPK8 P45983 2/20 0.51
MAPK10 P53779 1/20 0.51
SYK P43405 2/20 0.49
VNN1 O95497 1/20 0.49
ZAP70 P43403 1/20 0.48
GSK3B P49841 2/20 0.48
GSK3A P49840 1/20 0.48
ILK Q13418 1/20 0.47
CDC7 O00311 1/20 0.47
ROCK2 O75116 1/20 0.47
MAP4K4 O95819 1/20 0.47
PIM1 P11309 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
SCHEMBL670354 0.85 HDAC6 (0.72) HDAC6AURKAAURKBHDAC3HDAC1
SCHEMBL30923250 0.85 F7 (0.56) HDAC6AURKAJAK2AURKBHDAC3
SCHEMBL31141640 0.83 HDAC6 (0.73) HDAC6AURKAJAK2AURKBHDAC3
SCHEMBL30033167 0.81 SYK (0.54) HDAC6AURKAAURKBHDAC3HDAC1
SCHEMBL3698385 0.81 HDAC6 (1.00) HDAC6HDAC3HDAC1HDAC2
SCHEMBL14607583 0.79 HCAR3 (0.76) AURKAJAK2AURKBHCAR3IRAK4
SCHEMBL18713280 0.79 HDAC6 (0.68) HDAC6AURKAJAK2AURKBHDAC3
SCHEMBL29818028 0.79 HDAC1 (0.60) HDAC6AURKAAURKBHDAC3HDAC1
SCHEMBL30923236 0.78 RAB9A (0.47) HDAC6JAK2MAPK10VNN1
SCHEMBL17005800 0.78 HDAC3 (0.59) HDAC6HDAC3HDAC1HDAC2MAPK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2699553-A1 SUBSTITUTED DIAMINOCARBOXAMIDE AND DIAMINOCARBONITRILE PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH Signal Pharmaceuticals, LLC (US) 2014-02-26 EP disclosed
WO-2012145569-A1 SUBSTITUTED DIAMINOCARBOXAMIDE AND DIAMINOCARBONITRILE PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC (US) 2012-10-26 WO disclosed
US-20090264452-A1 2-(Phenylamino)-Pyrimidin-5-Amides As Cannabinoid 2 Receptors Modulators for the Treatment of Immune or Inflammatory Disorders GLAXO GROUP LIMITED (GB) 2009-10-22 US disclosed
US-7504396-B2 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2009-03-17 US disclosed
EP-1648464-A1 2-AMINO-4-HYDROXY-5-PYRIMIDINCARBOXAMID DERIVATIVES AND RELATED COMPOUNDS AS T-CELL ACTIVATION INHIBITORS FOR THE TREATMENT OF INFLAMMATIONS AMGEN INC. (US) 2006-04-26 EP disclosed
US-20050209221-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-09-22 US disclosed
WO-2005009443-A1 2-AMINO-4-HYDROXY-5-PYRIMIDINECARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF T CELL ACTIVATION FOR THE TREATMENT OF INFLAMMATORY DISEASES AMGEN INC. (US) 2005-02-03 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-20090264452-A1 2-(Phenylamino)-Pyrimidin-5-Amides As Cannabinoid 2 Receptors Modulators for the Treatment of Immune or Inflammatory Disorders CNR2, CNR1, P2RY2 HDAC6 2003/4885AURKA 3476/4885JAK2 345/4885
US-20050209221-A1 Substituted heterocyclic compounds and methods of use ICOS, CD4, HLA-DRB1 HDAC6 515/4885AURKA 1234/4885JAK2 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.