SCHEMBL6323985

SCHEMBL6323985

N=C(N)c1cccc(C(N)c2ncnc3cc(C(=O)N4CCCC(N)C4)ccc23)c1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CAMK1D Q8IU85 3/20 0.39
MKNK1 Q9BUB5 2/20 0.39
MKNK2 Q9HBH9 2/20 0.39
PADI4 Q9UM07 10/20 0.39
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
PDE2A O00408 1/20 0.39
F10 P00742 2/20 0.38
PRSS1 P07477 2/20 0.38
PARP14 Q460N5 1/20 0.37
PARP10 Q53GL7 1/20 0.37

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
SCHEMBL6323903 0.95 LOXL2 (0.41) MKNK1MKNK2F10PRSS1PARP14
SCHEMBL6325885 0.89 F10 (0.44) F10PRSS1
SCHEMBL6326452 0.89 TPSAB1 (0.39) ITGB3ITGA2BPDE2AF10PRSS1
SCHEMBL6322359 0.89 F10 (0.45) F10PRSS1
SCHEMBL6329955 0.84 F10 (0.43) F10PRSS1
SCHEMBL6329483 0.83 PDK2 (0.36) F10PRSS1
SCHEMBL6322317 0.80 NPC1 (0.36) PARP14PARP10
SCHEMBL6323988 0.79 CDK1 (0.45) CAMK1DPADI4
SCHEMBL6331776 0.76 F10 (0.46) F10PRSS1
SCHEMBL2998615 0.76 F10 (0.43) F10PRSS1

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 CAMK1D 4136/4885MKNK1 4553/4885MKNK2 4604/4885

“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.