SCHEMBL1993549

SCHEMBL1993549

COCCN1CCC(Cn2nc(CC(N)=O)c3ccccc32)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.41
ROCK2 O75116 3/20 0.40
ROCK1 Q13464 1/20 0.40
CNR1 P21554 1/20 0.40
LIPG Q9Y5X9 1/20 0.40
PADI4 Q9UM07 1/20 0.39
HTR4 Q13639 3/20 0.39
REN P00797 1/20 0.38
PIK3CD O00329 1/20 0.38
PIK3R2 O00459 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
PIK3CG P48736 1/20 0.38
PIK3R5 Q8WYR1 1/20 0.38
PIK3R3 Q92569 1/20 0.38
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
HRH1 P35367 3/20 0.38
ADRA1A P35348 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
SCHEMBL1997808 0.94 PADI4 (0.44) ROCK2ROCK1CNR1LIPGPADI4
SCHEMBL1997265 0.88 RECQL (0.46) ROCK2ROCK1LIPGHRH1
SCHEMBL1996234 0.83 CNR1 (0.46) ROCK2CNR1PADI4MEN1MAPK1
SCHEMBL1993250 0.82 ROCK2 (0.50) ROCK2CNR1PADI4PIK3CDPIK3R2
SCHEMBL1991422 0.82 RECQL (0.47) LIPGHRH1
SCHEMBL1996125 0.82 PADI4 (0.47) ROCK2CNR1PADI4PIK3CDPIK3R2
SCHEMBL1995634 0.82 PADI4 (0.47) ROCK2CNR1PADI4HTR4
SCHEMBL1994502 0.80 ROCK2 (0.44) ROCK2CNR1PADI4HRH1ADRA1A
SCHEMBL1992840 0.76 KDM4E (0.46) ROCK1CNR1PADI4PIK3CDPIK3R2
SCHEMBL1991767 0.75 NPY1R (0.40) ROCK2CNR1PADI4MEN1KMT2A

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-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-23 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-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS TPMT, TSLP, THPO LTA4H 438/4885ROCK2 4260/4885ROCK1 4310/4885

“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.