SCHEMBL9909207

SCHEMBL9909207

COC(=O)c1ccc2c(C)cnc(-c3ccccc3I)c2c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 4/20 0.50
NEK1 Q96PY6 5/20 0.42
AXL P30530 1/20 0.42
SGK1 O00141 1/20 0.42
CAMKK2 Q96RR4 1/20 0.42
KIF11 P52732 1/20 0.40
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
PARP1 P09874 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
DYRK1A Q13627 1/20 0.38
GPR84 Q9NQS5 1/20 0.38
ALOX15 P16050 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL9907727 0.86 HTR5A (0.50) HTR5AKIF11KDM4EL3MBTL1HTT
SCHEMBL9909193 0.82 HTR5A (0.58) HTR5ANEK1AXLKDM4E
SCHEMBL9907702 0.79 HTR5A (0.53) HTR5AKIF11PARP1DYRK1A
SCHEMBL9909274 0.79 HTR5A (0.47) HTR5APARP1KDM4EMAPK1L3MBTL1
SCHEMBL9907758 0.79 HTR5A (0.43) HTR5AKIF11PARP1KDM4EMAPK1
SCHEMBL30710238 0.78 MAPK1 (0.46) NEK1AXLSGK1CAMKK2KIF11
SCHEMBL9907628 0.77 HTR5A (0.67) HTR5AKDM4EMAPK1L3MBTL1DYRK1A
SCHEMBL9907765 0.77 HTR5A (0.51) HTR5APARP1DYRK1A
SCHEMBL9907661 0.76 HTR5A (0.52) HTR5AKIF11PARP1KDM4EL3MBTL1
SCHEMBL9907636 0.76 HTR5A (0.64) HTR5AKIF11PARP1KDM4EL3MBTL1

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-20120142727-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-06-07 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-20120142727-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE HTR5A, HTR2A, HTR1E HTR5A 1/4885NEK1 2164/4885AXL 4425/4885

“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.