SCHEMBL5111993

SCHEMBL5111993

[O-][n+]1nc(Nc2cccc(N3CCNCC3)c2)nc2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MARK3 P27448 2/20 0.45
CAMK2D Q13557 1/20 0.45
HTR6 P50406 1/20 0.43
JAK2 O60674 1/20 0.43
JAK3 P52333 1/20 0.43
PTK2 Q05397 1/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.43
CDK2 P24941 10/20 0.42
CDK9 P50750 9/20 0.42
CCNA2 P20248 9/20 0.42
CCNT1 O60563 8/20 0.42
CDK1 P06493 6/20 0.42
CCNB1 P14635 6/20 0.42
CDK7 P50613 6/20 0.42
CCNH P51946 6/20 0.42
CDK5 Q00535 1/20 0.42
KDM1A O60341 1/20 0.41
CCNA1 P78396 4/20 0.41
IDH2 P48735 1/20 0.41

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
SCHEMBL5118743 0.88 HTR7 (0.49) MARK3CAMK2DHTR6JAK2JAK3
SCHEMBL5104884 0.88 KDM1A (0.55) PTK2POLBKMT2ACDK2CCNA2
SCHEMBL5113643 0.80 MYLK4 (0.43) HTR6POLBKMT2ACDK1CCNB1
SCHEMBL5118866 0.80 CDK4 (0.53) CDK2CDK9CCNA2CCNT1CDK1
SCHEMBL5111588 0.77 MAP4K1 (0.50) JAK2POLBKMT2AKDM1ACDK4
SCHEMBL14078705 0.76 HTR7 (0.49) MARK3CAMK2DHTR6JAK2JAK3
SCHEMBL6680537 0.75 NPY5R (0.47) MARK3POLBKMT2ACDK2CDK1
SCHEMBL5108246 0.75 STK17A (0.44) CAMK2DKDM1ACDK4CDK6
SCHEMBL11614873 0.73 ALDH1A1 (0.49) HTR6POLBKMT2AHTR1AHTR7
Hydrochloric Acid SCHEMBL11613543 0.72 ALDH1A1 (0.48) HTR6POLBKMT2AHTR1AHTR7

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 1 patent. 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 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 MARK3 413/4885CAMK2D 350/4885HTR6 3177/4885

“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.