SCHEMBL6325885

SCHEMBL6325885

N=C(N)c1cccc(C(N)c2ncnc3cc(C(=O)N4CCC4)ccc23)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F10 P00742 11/20 0.44
PRSS1 P07477 5/20 0.44
F2 P00734 1/20 0.41
HPGD P15428 6/20 0.39
PARP1 P09874 1/20 0.39
PARP2 Q9UGN5 1/20 0.39
PARP3 Q9Y6F1 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
F9 P00740 1/20 0.37
PLAU P00749 1/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
GRM2 Q14416 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
SCHEMBL6322359 0.97 F10 (0.45) F10PRSS1F2HPGDGRM2
SCHEMBL6329955 0.90 F10 (0.43) F10PRSS1F2PARP1PARP2
SCHEMBL6323985 0.89 CAMK1D (0.39) F10PRSS1
SCHEMBL6323903 0.87 LOXL2 (0.41) F10PRSS1F2HPGDPARP1
SCHEMBL6326452 0.87 TPSAB1 (0.39) F10PRSS1F2NPC1RAB9A
SCHEMBL6329483 0.85 PDK2 (0.36) F10PRSS1F2PARP1PARP2
SCHEMBL6331776 0.83 F10 (0.46) F10PRSS1F2HPGDPARP1
SCHEMBL2998615 0.83 F10 (0.43) F10PRSS1HPGDLMNAPOLB
SCHEMBL6322317 0.82 NPC1 (0.36) NPC1POLBRAB9A
SCHEMBL6324688 0.78 F10 (0.43) F10PRSS1F2HPGDSMN1; SMN2

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 182/4885F2 2/4885

“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.