SCHEMBL6324688

SCHEMBL6324688

CCN(CC)C(=O)c1ccc2c(C(N)c3cccc(C(=N)N)c3)ncnc2c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 10/20 0.43
HPGD P15428 6/20 0.41
ALDH1A1 P00352 3/20 0.41
LMNA P02545 2/20 0.41
TDP1 Q9NUW8 1/20 0.39
F2 P00734 7/20 0.37
PRSS1 P07477 6/20 0.37
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PIK3CA P42336 2/20 0.35
MTOR P42345 2/20 0.35
KDR P35968 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
SCHEMBL6325885 0.78 F10 (0.44) F10HPGDLMNAF2PRSS1
SCHEMBL6329955 0.78 F10 (0.43) F10F2PRSS1
SCHEMBL6329483 0.78 PDK2 (0.36) F10F2PRSS1
SCHEMBL6322359 0.78 F10 (0.45) F10HPGDF2PRSS1
SCHEMBL6324691 0.77 AURKA (0.48) F10HPGDALDH1A1LMNASMN1; SMN2
SCHEMBL6323903 0.74 LOXL2 (0.41) F10HPGDF2PRSS1KDR
SCHEMBL6322317 0.73 NPC1 (0.36) NPC1RAB9A
SCHEMBL6323985 0.73 CAMK1D (0.39) F10PRSS1
SCHEMBL6326452 0.73 TPSAB1 (0.39) F10F2PRSS1NPC1RAB9A
SCHEMBL6332625 0.70 HPGD (0.52) HPGDALDH1A1LMNATDP1

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 11/4885HPGD 1428/4885ALDH1A1 1078/4885

“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.