SCHEMBL4581475

SCHEMBL4581475

Clc1nccc(N2CCOC[C@H]2c2ccccc2)n1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 2/20 0.54
NUDT1 P36639 1/20 0.51
HDAC6 Q9UBN7 8/20 0.47
HDAC8 Q9BY41 7/20 0.47
HDAC1 Q13547 5/20 0.47
HDAC5 Q9UQL6 2/20 0.40
PIK3C3 Q8NEB9 2/20 0.40
PIK3CD O00329 1/20 0.40
PIK3CA P42336 1/20 0.40
ATR Q13535 2/20 0.37
MDM2 Q00987 1/20 0.36
ATRIP Q8WXE1 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
IDH1 O75874 1/20 0.36

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
SCHEMBL4581477 1.00 NR3C2 (0.54) NR3C2NUDT1HDAC6HDAC8HDAC1
SCHEMBL4580276 0.79 IDH1 (0.53) NR3C2NUDT1HDAC6HDAC8HDAC1
SCHEMBL4580277 0.79 IDH1 (0.53) NR3C2NUDT1HDAC6HDAC8HDAC1
SCHEMBL4582161 0.79 IDH1 (0.46) NR3C2NUDT1HDAC6HDAC8HDAC1
SCHEMBL4582156 0.79 IDH1 (0.46) NR3C2NUDT1HDAC6HDAC8HDAC1
SCHEMBL4580268 0.79 NUDT1 (0.46) NUDT1HDAC6HDAC8PIK3C3IDH1
SCHEMBL2369782 0.79 PIK3CD (0.57) PIK3CDPIK3CAATRATRIP
SCHEMBL20797866 0.79 PIK3CD (0.57) PIK3CDPIK3CAATRATRIP
SCHEMBL2369785 0.79 PIK3CD (0.57) PIK3CDPIK3CAATRATRIP
SCHEMBL4582373 0.79 CDK2 (0.52) NR3C2NUDT1PIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7323464-B2 Pyridine and pyrimidine derivatives CELLTECH R&D LIMITED (GB) 2008-01-29 US disclosed
US-20050080258-A1 Pyridine and pyrimidine derivatives GENTEX CORPORATION 2005-04-14 US disclosed
EP-1448555-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES Celltech R & D Limited (GB) 2004-08-25 EP disclosed
WO-2003045941-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES CELLTECH R & D LIMITED (GB) 2003-06-05 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-20050080258-A1 Pyridine and pyrimidine derivatives ROR1, MAPK1, IRAK1 NR3C2 787/4885NUDT1 762/4885HDAC6 2319/4885

“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.