SCHEMBL12880445

SCHEMBL12880445

CC(C)c1cnc2ccc(I)cc2c1F

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.39
GAK O14976 1/20 0.33
RIPK2 O43353 1/20 0.33
COQ8A Q8NI60 1/20 0.33
NLK Q9UBE8 1/20 0.33
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRB2 P47870 1/20 0.32
CCNC P24863 1/20 0.31
CDK8 P49336 1/20 0.31
TYMS P04818 1/20 0.31
TNF P01375 4/20 0.31
ALOX5AP P20292 1/20 0.30
FEN1 P39748 1/20 0.30

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
SCHEMBL13748795 0.79 PARP1 (0.41) PARP1GAKRIPK2COQ8ANLK
SCHEMBL22758237 0.75 KDM4E (0.48) ALOX5APFEN1
SCHEMBL12880449 0.73 APP (0.34) PARP1GABRA1GABRB1GABRB2TYMS
SCHEMBL12880400 0.69 APP (0.33) PARP1
SCHEMBL12880448 0.67 DYRK1A (0.36) PARP1TYMS
SCHEMBL18503033 0.67 PARP1 (0.39) PARP1GABRA1GABRB1GABRB2CCNC
SCHEMBL23857841 0.66 GABRA1 (0.46) GABRA1GABRB1GABRB2
SCHEMBL9967736 0.66 GABRA1 (0.41) GABRA1GABRB1GABRB2
SCHEMBL30169533 0.66 GABRA1 (0.46) GABRA1GABRB1GABRB2
SCHEMBL12182749 0.66 PDPK1 (0.37) PARP1

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
EP-2252605-B1 LABELLED ANALOGUES OF HALOBENZAMIDES AS MULTIMODAL RADIOPHARMACEUTICALS AND THEIR PRECURSORS INST NAT SANTE RECH MED (FR) 2018-06-13 EP disclosed
US-20110044899-A1 LABELLED ANALOGUES OF HALOBENZAMIDES AS MULTIMODAL RADIOPHARMACEUTICALS AND THEIR PRECURSORS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2011-02-24 US disclosed
US-20110044899-A1 LABELLED ANALOGUES OF HALOBENZAMIDES AS MULTIMODAL RADIOPHARMACEUTICALS AND THEIR PRECURSORS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2011-02-24 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-20110044899-A1 LABELLED ANALOGUES OF HALOBENZAMIDES AS MULTIMODAL RADIOPHARMACEUTICALS AND THEIR PRECURSORS CBR3, ADRB3, HRH4 PARP1 3842/4885GAK 4108/4885RIPK2 4871/4885

“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.