SCHEMBL214434

SCHEMBL214434

NC(=O)c1[nH]cnc1C(=O)N(c1nc2ccccc2[nH]1)c1c(O)cccc1F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.35
NPC1 O15118 5/20 0.33
LMNA P02545 3/20 0.33
TP53 P04637 2/20 0.33
PKM P14618 2/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 5/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
CYP3A4 P08684 2/20 0.32
PARP1 P09874 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL215133 0.94 POLB (0.38) POLBNPC1LMNATP53PKM
SCHEMBL213713 0.90 NPC1 (0.38) POLBNPC1LMNATP53PKM
SCHEMBL214035 0.87 POLB (0.41) POLBNPC1LMNATP53PKM
SCHEMBL214977 0.84 POLB (0.38) POLBNPC1LMNAGAAHPGD
SCHEMBL215675 0.82 POLB (0.44) POLBNPC1LMNATP53PKM
SCHEMBL215085 0.80 GRM2 (0.35) POLBNPC1LMNAPKMHPGD
SCHEMBL213659 0.80 CHEK2 (0.33) LMNAHPGDRAB9A
SCHEMBL215645 0.80 POLB (0.37) POLBLMNAHPGDHTTRAB9A
SCHEMBL215904 0.80 MAPT (0.35) POLBNPC1LMNATP53PKM
SCHEMBL216070 0.79 POLB (0.47) POLBNPC1LMNAPKMGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US claimed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US claimed
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US disclosed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US disclosed
EP-2061768-A2 IMIDAZOLE-4,5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS Exelixis, Inc. (US) 2009-05-27 EP disclosed
WO-2008042282-A2 IMIDAZOLE-4, 5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS EXELIXIS, INC. (US) 2008-04-10 WO 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-20100136136-A1 JAK-2 Modulators and Methods of Use JAK2, JAK1, JAK3 POLB 3464/4885NPC1 3307/4885LMNA 4821/4885

“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.