SCHEMBL4833370

SCHEMBL4833370

O=C(Cc1cccc(F)c1F)c1c[nH]c2nccc(F)c12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.36
JAK3 P52333 1/20 0.36
CYP3A4 P08684 4/20 0.36
ALDH1A1 P00352 2/20 0.35
MAPK1 P28482 1/20 0.35
CYP2C9 P11712 2/20 0.35
ROCK1 Q13464 2/20 0.35
AURKA O14965 2/20 0.35
PDPK1 O15530 1/20 0.35
RPS6KB1 P23443 1/20 0.35
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
AURKB Q96GD4 1/20 0.34
MET P08581 1/20 0.34
PKM P14618 2/20 0.34
MAPK7 Q13164 1/20 0.33
MAPK14 Q16539 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL4831413 0.83 MAP2K1 (0.50) PKMMAP2K1
SCHEMBL25250876 0.78 MAP3K7 (0.48) JAK2JAK3CYP3A4ALDH1A1ROCK1
SCHEMBL4479156 0.78 PKM (0.38) JAK2JAK3CYP3A4CYP2C9ROCK1
SCHEMBL30565935 0.78 MAP3K7 (0.48) JAK2JAK3CYP3A4ALDH1A1ROCK1
SCHEMBL4831382 0.74 BRAF (0.47) JAK2JAK3CYP3A4ALDH1A1MAPK1
SCHEMBL13503094 0.74 KDM4E (0.42) JAK2JAK3CYP3A4CYP2C9ROCK1
SCHEMBL4829642 0.74 ADORA2A (0.44) CYP3A4ALDH1A1MAPK1ROCK1AURKA
SCHEMBL4831235 0.74 AXL (0.43) CYP3A4ALDH1A1MAPK1CYP2C9ROCK1
SCHEMBL8291987 0.72 MET (0.35) JAK2JAK3CYP3A4CYP2C9ROCK1
SCHEMBL4829366 0.71 CTNNB1 (0.40) ALDH1A1AURKAPDPK1RPS6KB1MEN1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7446199-B2 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-11-04 US disclosed
US-7446199-B2 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-11-04 US disclosed
US-7446199-B2 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-11-04 US disclosed
EP-1664043-B1 COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMA (US) 2007-11-14 EP disclosed
US-20050137201-A1 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2005-06-23 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-20050137201-A1 Compositions useful as inhibitors of protein kinases MAP3K20, PACSIN2, MAP3K6 JAK2 206/4885JAK3 217/4885CYP3A4 4783/4885

“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.