SCHEMBL4581007

SCHEMBL4581007

CC(C)CNc1nccc(N2CCNC(=O)C2c2ccccc2)n1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 5/20 0.54
IDH1 O75874 13/20 0.41
CDC7 O00311 1/20 0.40
OGA O60502 1/20 0.39

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
SCHEMBL4582144 0.91 HRH4 (0.43) HRH4IDH1OGA
SCHEMBL4581701 0.90 HRH4 (0.44) HRH4IDH1OGA
SCHEMBL4581890 0.86 IDH1 (0.54) HRH4IDH1CDC7OGA
SCHEMBL4583141 0.86 IDH1 (0.55) IDH1
SCHEMBL4581479 0.85 IDH1 (0.44) HRH4IDH1OGA
SCHEMBL4581083 0.85 IDH1 (0.44) IDH1
SCHEMBL4581999 0.84 HRH4 (0.56) HRH4IDH1OGA
SCHEMBL4581037 0.84 MKNK1 (0.48) HRH4IDH1OGA
SCHEMBL4580238 0.84 HRH4 (0.48) HRH4IDH1OGA
SCHEMBL4581689 0.84 KDM4E (0.49) HRH4IDH1OGA

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
US-7323464-B2 Pyridine and pyrimidine derivatives CELLTECH R&D LIMITED (GB) 2008-01-29 US claimed
US-20050080258-A1 Pyridine and pyrimidine derivatives GENTEX CORPORATION 2005-04-14 US claimed
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 HRH4 52/4885IDH1 424/4885CDC7 2045/4885

“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.