SCHEMBL4560198

SCHEMBL4560198

Nc1ncc(C(=O)Nc2ccccc2)cn1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.65
NPC1 O15118 1/20 0.65
ALDH1A1 P00352 1/20 0.65
RAB9A P51151 1/20 0.65
P4HTM Q9NXG6 1/20 0.61
HDAC1 Q13547 2/20 0.56
HDAC6 Q9UBN7 2/20 0.56
HTT P42858 1/20 0.56
PTPN1 P18031 2/20 0.55
HDAC2 Q92769 2/20 0.54
ATR Q13535 2/20 0.54
HDAC3 O15379 1/20 0.54
NCOR2 Q9Y618 1/20 0.54
ADORA3 P0DMS8 1/20 0.54
SIRT1 Q96EB6 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
PRKCI P41743 1/20 0.53
NAMPT P43490 2/20 0.51
JAK2 O60674 1/20 0.51
TYK2 P29597 1/20 0.51

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
SCHEMBL14854999 0.86 BCAT2 (0.64) KDM4ENPC1RAB9AP4HTMHTT
SCHEMBL10731336 0.83 KDM4E (0.71) KDM4ENPC1ALDH1A1RAB9AP4HTM
SCHEMBL6935345 0.81 MEN1 (0.70) KDM4ENPC1ALDH1A1RAB9AHTT
SCHEMBL17610490 0.79 KDR (0.74) KDM4ENPC1ALDH1A1RAB9A
SCHEMBL30834320 0.79 ALDH1A1 (1.00) KDM4ENPC1ALDH1A1RAB9AP4HTM
SCHEMBL13210581 0.79 ALDH1A1 (1.00) KDM4ENPC1ALDH1A1RAB9AP4HTM
SCHEMBL11298985 0.78 PTPN11 (0.63) KDM4EALDH1A1ATRPRKCI
SCHEMBL4429268 0.78 BCAT2 (0.73) KDM4ENPC1ALDH1A1RAB9AP4HTM
SCHEMBL1651797 0.77 HDAC1 (0.50) KDM4ENPC1ALDH1A1RAB9AP4HTM
SCHEMBL4636076 0.77 HTT (0.68) KDM4ENPC1ALDH1A1RAB9AP4HTM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
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 (1 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-20050209221-A1 Substituted heterocyclic compounds and methods of use ICOS, CD4, HLA-DRB1 KDM4E 3016/4885NPC1 4710/4885ALDH1A1 1306/4885

“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.