SCHEMBL6324252

SCHEMBL6324252

CCOC(=O)CC(Nc1ncnc2cc(C(=O)N3CCCC3)ccc12)c1cccc(C(=N)N)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F10 P00742 12/20 0.44
PRSS1 P07477 5/20 0.44
F2 P00734 2/20 0.44
HPGD P15428 2/20 0.40
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RPS6KB1 P23443 3/20 0.38
AURKB Q96GD4 2/20 0.38
AKT1 P31749 1/20 0.38
INCENP Q9NQS7 1/20 0.38
AURKA O14965 2/20 0.37
CNR2 P34972 1/20 0.37
TPSAB1 Q15661 1/20 0.37
TPSD1 Q9BZJ3 1/20 0.37
TPSG1 Q9NRR2 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
SCHEMBL6329430 0.91 F10 (0.43) F10PRSS1F2RPS6KB1AURKA
Hydrochloric Acid SCHEMBL6324241 0.90 F10 (0.42) F10PRSS1F2SMN1; SMN2RPS6KB1
SCHEMBL8304367 0.89 F10 (0.46) F10PRSS1F2RPS6KB1AURKB
SCHEMBL2998315 0.88 F10 (0.40) F10PRSS1F2RPS6KB1AURKB
Hydrochloric Acid SCHEMBL6332068 0.88 F10 (0.46) F10PRSS1F2RPS6KB1AURKB
SCHEMBL6325051 0.86 CDK1 (0.45) HPGDMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL6326837 0.85 F10 (0.41) F10PRSS1F2HPGDMEN1
SCHEMBL8311761 0.81 F10 (0.45) F10PRSS1F2HPGD
Hydrochloric Acid SCHEMBL6321520 0.80 F10 (0.45) F10PRSS1F2HPGD
Hydrochloric Acid SCHEMBL6332656 0.79 F10 (0.38) F10PRSS1F2RPS6KB1AURKB

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 3 patents. 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
EP-1513796-A2 PHENYLOXYALKANOIC ACID DERIVATIVES AS HPPAR ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2005-03-16 EP disclosed
WO-2004000785-A2 PHENYLOXYALKANONIC ACID DERIVATIVES AS HPPAR ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2003-12-31 WO 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.