SCHEMBL21144798

SCHEMBL21144798

O=C(O)NC(CO)Cc1ccc(I)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.50
CYP3A4 P08684 1/20 0.50
LMNA P02545 1/20 0.46
ROCK2 O75116 4/20 0.43
ROCK1 Q13464 4/20 0.43
PRKACA P17612 2/20 0.43
IRAK1 P51617 2/20 0.43
PRKX P51817 2/20 0.43
PRKG1 Q13976 2/20 0.43
PKN2 Q16513 2/20 0.43
CLK4 Q9HAZ1 2/20 0.43
RPS6KA5 O75582 1/20 0.43
RPS6KA4 O75676 1/20 0.43
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 0.43
SGK2 Q9HBY8 1/20 0.43
FPR2 P25090 3/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL21144797 1.00 MAPK1 (0.50) MAPK1CYP3A4LMNAROCK2ROCK1
SCHEMBL3901670 1.00 MAPK1 (0.50) MAPK1CYP3A4LMNAROCK2ROCK1
SCHEMBL3905562 0.85 FPR2 (0.41) MAPK1CYP3A4LMNAFPR2MME
SCHEMBL3907802 0.85 FPR2 (0.41) MAPK1CYP3A4LMNAFPR2MME
SCHEMBL6190633 0.84 CNR1 (0.51) MAPK1CYP3A4LMNAROCK2ROCK1
SCHEMBL6539275 0.84 CNR1 (0.51) MAPK1CYP3A4LMNAROCK2ROCK1
SCHEMBL3897966 0.84 MAPK1 (0.68) MAPK1CYP3A4ROCK2ROCK1PRKACA
SCHEMBL2973301 0.84 MAPK1 (0.68) MAPK1CYP3A4ROCK2ROCK1PRKACA
SCHEMBL3959317 0.84 MAPK1 (0.68) MAPK1CYP3A4ROCK2ROCK1PRKACA
SCHEMBL14022426 0.83 CTRB1 (0.60) MAPK1CYP3A4ROCK2ROCK1PRKACA

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-10654818-B2 Furane derivatives as inhibitors of ATAD2 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-05-19 US disclosed
US-20190218196-A1 FURANE DERIVATIVES AS INHIBITORS OF ATAD2 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-07-18 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 (2 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-20190218196-A1 FURANE DERIVATIVES AS INHIBITORS OF ATAD2 ATAD2, ATAD2B, TAF1L MAPK1 2974/4885CYP3A4 2947/4885LMNA 3265/4885
US-10654818-B2 Furane derivatives as inhibitors of ATAD2 ATAD2, ATAD2B, TAF1L MAPK1 2974/4885CYP3A4 2947/4885LMNA 3265/4885

“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.