SCHEMBL5118866

SCHEMBL5118866

[O-][n+]1nc(Nc2ccc(N3CCNCC3)cn2)nc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 15/20 0.53
CCND1 P24385 10/20 0.53
CDK6 Q00534 11/20 0.49
CCND3 P30281 3/20 0.49
CDK9 P50750 2/20 0.49
CCNK O75909 1/20 0.49
CCNA2 P20248 1/20 0.49
CDK2 P24941 1/20 0.49
PIM1 P11309 2/20 0.46
FGFR1 P11362 1/20 0.45
FGFR2 P21802 1/20 0.45
FGFR4 P22455 1/20 0.45
FGFR3 P22607 1/20 0.45
CCND2 P30279 1/20 0.45
CCNT1 O60563 1/20 0.44
CDK1 P06493 1/20 0.44
CCNB1 P14635 1/20 0.44
CDK7 P50613 1/20 0.44
CCNH P51946 1/20 0.44
CTSL P07711 1/20 0.44

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
SCHEMBL5104884 0.84 KDM1A (0.55) CDK4CCND1CDK6CCNA2CDK2
SCHEMBL5120404 0.81 CDK4 (0.47) CDK4CCND1CDK6CCND3CDK9
SCHEMBL5118157 0.80 CDK4 (0.59) CDK4CCND1CDK6CCND3CDK9
SCHEMBL5111993 0.80 MARK3 (0.45) CDK4CDK6CCND3CDK9CCNA2
SCHEMBL5113643 0.79 MYLK4 (0.43) CDK4CCND1CDK6CDK1CCNB1
SCHEMBL23296202 0.75 CDK4 (0.64) CDK4CCND1CDK6CCND3CDK9
SCHEMBL11614873 0.72 ALDH1A1 (0.49)
SCHEMBL5111588 0.72 MAP4K1 (0.50) CDK4CDK6CCND3PIM1
Hydrochloric Acid SCHEMBL11613543 0.71 ALDH1A1 (0.48)
SCHEMBL23296206 0.70 CDK4 (0.65) CDK4CCND1CDK6CCND3CDK9

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-20080234276-A1 Heterocyclic Triazines as Hypoxic Selective Protein Kinase Inhibitors SENTINEL ONCOLOGY LIMITED (UK) 2008-09-25 US claimed
EP-1846392-A2 HETEROCYCLIC TRIAZINES AS HYPOXIC SELECTIVE PROTEIN KINASE INHIBITORS Sentinel Oncology Limited (GB) 2007-10-24 EP claimed
WO-2006131835-A2 HETEROCYCLIC TRIAZINES AS HYPOXIC SELECTIVE PROTEIN KINASE INHIBITORS SENTINEL ONCOLOGY LIMITED (GB) 2006-12-14 WO claimed
US-20080234276-A1 Heterocyclic Triazines as Hypoxic Selective Protein Kinase Inhibitors SENTINEL ONCOLOGY LIMITED (UK) 2008-09-25 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-20080234276-A1 Heterocyclic Triazines as Hypoxic Selective Protein Kinase Inhibitors HIF1AN, HIF1A, CDK2 CDK4 14/4885CCND1 301/4885CDK6 89/4885

“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.