SCHEMBL6325892

SCHEMBL6325892

N=C(N)c1cccc(CNc2ncnc3cc(C(=O)N4CCC4)ccc23)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F10 P00742 5/20 0.48
PRSS1 P07477 2/20 0.48
PDE5A O76074 1/20 0.47
AURKA O14965 5/20 0.47
RPS6KB1 P23443 5/20 0.47
AURKB Q96GD4 4/20 0.47
MAPK10 P53779 5/20 0.46
MAPK8 P45983 3/20 0.46
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
LOXL2 Q9Y4K0 1/20 0.44
NPC1 O15118 1/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CDK1 P06493 1/20 0.42

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
SCHEMBL8307208 0.98 F10 (0.48) F10PRSS1PDE5AAURKARPS6KB1
Hydrochloric Acid SCHEMBL6325502 0.97 F10 (0.47) F10PRSS1PDE5AAURKARPS6KB1
SCHEMBL6322361 0.97 AURKA (0.49) F10PRSS1PDE5AAURKARPS6KB1
SCHEMBL6329960 0.92 F10 (0.48) F10PRSS1PDE5AAURKARPS6KB1
Hydrochloric Acid SCHEMBL6326766 0.91 F10 (0.48) F10PRSS1PDE5AAURKARPS6KB1
SCHEMBL6323988 0.90 CDK1 (0.45) PDE5AAURKARPS6KB1AURKBMAPK10
SCHEMBL6326456 0.89 AURKA (0.41) F10PRSS1PDE5AAURKARPS6KB1
SCHEMBL6323907 0.88 CDK1 (0.50) PDE5AAURKARPS6KB1AURKBMAPK10
SCHEMBL6329487 0.86 AURKA (0.43) PDE5AAURKARPS6KB1AURKBMAPK10
SCHEMBL6322321 0.85 AURKA (0.42) PDE5AAURKARPS6KB1AURKBCNR1

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 2 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
WO-2004080970-A1 NOVEL BICYCLIC AROMATIC COMPOUNDS, THE PRODUCTION AND USE THEREOF IN THE FORM OF DRUGS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-09-23 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 182/4885PDE5A 569/4885

“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.