SCHEMBL6323903

SCHEMBL6323903

N=C(N)c1cccc(C(N)c2ncnc3cc(C(=O)N4CCC(N)C4)ccc23)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 3/20 0.41
CDK1 P06493 1/20 0.39
MKNK1 Q9BUB5 2/20 0.38
MKNK2 Q9HBH9 2/20 0.38
KDM1A O60341 1/20 0.37
F10 P00742 5/20 0.37
F2 P00734 4/20 0.37
PARP1 P09874 1/20 0.36
PARP2 Q9UGN5 1/20 0.36
PARP3 Q9Y6F1 1/20 0.36
CBLB Q13191 2/20 0.36
SUV39H1 O43463 1/20 0.36
PRMT1 Q99873 1/20 0.36
SMYD3 Q9H7B4 1/20 0.36
LOX P28300 2/20 0.36
PRSS1 P07477 4/20 0.36
HPGD P15428 1/20 0.36
TPSAB1 Q15661 1/20 0.36
PARP14 Q460N5 1/20 0.35
PARP10 Q53GL7 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
SCHEMBL6323985 0.95 CAMK1D (0.39) MKNK1MKNK2F10PRSS1PARP14
SCHEMBL6325885 0.87 F10 (0.44) F10F2PARP1PARP2PARP3
SCHEMBL6322359 0.86 F10 (0.45) F10F2PRSS1HPGD
SCHEMBL6326452 0.86 TPSAB1 (0.39) F10F2PRSS1TPSAB1PARP14
SCHEMBL6329955 0.85 F10 (0.43) F10F2PARP1PARP2PARP3
SCHEMBL6329483 0.84 PDK2 (0.36) F10F2PARP1PARP2PARP3
SCHEMBL6322317 0.80 NPC1 (0.36) SUV39H1PARP14PARP10
SCHEMBL6323907 0.79 CDK1 (0.50) LOXL2CDK1KDM1ASUV39H1PRMT1
SCHEMBL6324688 0.74 F10 (0.43) F10F2PRSS1HPGDKDR
SCHEMBL6323988 0.74 CDK1 (0.45) CDK1KDM1A

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-20050107409-A1 Aromatic bicyclic compounds, preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-05-19 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-20050107409-A1 Aromatic bicyclic compounds, preparation thereof and their use as pharmaceutical compositions F12, F2, F11 LOXL2 2651/4885CDK1 170/4885MKNK1 4553/4885

“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.