SCHEMBL6322359

SCHEMBL6322359

N=C(N)c1cccc(C(N)c2ncnc3cc(C(=O)N4CCCCC4)ccc23)c1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 10/20 0.45
PRSS1 P07477 5/20 0.45
HPGD P15428 8/20 0.43
F2 P00734 1/20 0.41
GRIA3 P42263 1/20 0.40
GRIA4 P48058 1/20 0.40
GRM2 Q14416 1/20 0.39

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
SCHEMBL6325885 0.97 F10 (0.44) F10PRSS1HPGDF2GRM2
SCHEMBL6329955 0.89 F10 (0.43) F10PRSS1F2
SCHEMBL6323985 0.89 CAMK1D (0.39) F10PRSS1
SCHEMBL6323903 0.86 LOXL2 (0.41) F10PRSS1HPGDF2
SCHEMBL6326452 0.86 TPSAB1 (0.39) F10PRSS1F2
SCHEMBL2998615 0.85 F10 (0.43) F10PRSS1HPGDGRIA3GRIA4
SCHEMBL6331776 0.85 F10 (0.46) F10PRSS1HPGDF2GRIA3
SCHEMBL6329483 0.84 PDK2 (0.36) F10PRSS1F2
SCHEMBL6322317 0.83 NPC1 (0.36)
SCHEMBL8304367 0.79 F10 (0.46) F10PRSS1F2

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 F10 11/4885PRSS1 182/4885HPGD 1428/4885

“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.