SCHEMBL4582929

SCHEMBL4582929

O=C1NCCN(c2ccnc(NCc3ccc(F)c(C(F)(F)F)c3)n2)C1c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
IDH1 O75874 6/20 0.41
P2RX7 Q99572 3/20 0.38
VNN1 O95497 4/20 0.38
RPS6KB1 P23443 1/20 0.37
RXRA P19793 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
MAPK10 P53779 2/20 0.35
AR P10275 1/20 0.35
HRH4 Q9H3N8 1/20 0.35

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
SCHEMBL4583051 0.86 IDH1 (0.44) HDAC1HDAC8HDAC6IDH1
SCHEMBL4580943 0.85 HDAC1 (0.43) HDAC1HDAC8HDAC6IDH1VNN1
SCHEMBL4581890 0.84 IDH1 (0.54) IDH1HRH4
SCHEMBL4580658 0.83 IDH1 (0.44) HDAC1HDAC8HDAC6IDH1HRH4
SCHEMBL4579971 0.82 KDM4E (0.42) HDAC1HDAC8HDAC6IDH1VNN1
SCHEMBL4580232 0.81 IDH1 (0.46) IDH1HRH4
SCHEMBL4579658 0.81 IDH1 (0.46) HDAC1HDAC8HDAC6IDH1HRH4
SCHEMBL4582884 0.80 HRH4 (0.43) HDAC1HDAC8HDAC6IDH1HRH4
SCHEMBL4581479 0.80 IDH1 (0.44) HDAC1HDAC8HDAC6IDH1HRH4
SCHEMBL4580579 0.80 ACHE (0.47) IDH1HRH4

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 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

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 HDAC1 481/4885HDAC8 1903/4885HDAC6 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.