SCHEMBL2991676

SCHEMBL2991676

NC(=O)c1cccnc1-c1cccc(F)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.57
MAP4K4 O95819 2/20 0.51
HPGDS O60760 1/20 0.50
CDC7 O00311 1/20 0.50
PARP1 P09874 3/20 0.47
RORB Q92753 1/20 0.47
RPS6KB1 P23443 1/20 0.45
CHEK2 O96017 1/20 0.45
KMO O15229 1/20 0.43
JAK2 O60674 1/20 0.43
ROCK2 O75116 3/20 0.43
PDE4A P27815 2/20 0.43
PDE4B Q07343 2/20 0.43
PDE4C Q08493 2/20 0.43
PDE4D Q08499 2/20 0.43
PLK4 O00444 1/20 0.43
EGFR P00533 1/20 0.43
ROS1 P08922 1/20 0.43
PIM1 P11309 1/20 0.43
AXL P30530 1/20 0.43

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
SCHEMBL28777525 0.88 LMNA (0.49) LMNAMAP4K4HPGDSCDC7PARP1
SCHEMBL30108258 0.83 PARP1 (0.47) LMNACDC7PARP1RPS6KB1ROCK2
SCHEMBL28225056 0.83 PARP1 (0.47) LMNACDC7PARP1RPS6KB1ROCK2
SCHEMBL27964788 0.82 RORB (0.68) PARP1RORBRPS6KB1JAK2PDE4A
SCHEMBL18580116 0.82 TLR8 (0.51) MAP4K4CDC7PARP1RORBKMO
SCHEMBL5178386 0.81 PARP1 (0.58) LMNAPARP1RORBRPS6KB1KMO
SCHEMBL29916420 0.80 KDM4E (0.55) PARP1RORBJAK2MAPTHTT
SCHEMBL945856 0.80 KDM4E (0.55) PARP1RORBJAK2MAPTHTT
SCHEMBL21722362 0.80 HPGDS (0.51) LMNAMAP4K4HPGDSCDC7PARP1
SCHEMBL30359410 0.80 MAPT (0.47) LMNAMAP4K4PARP1RORBRPS6KB1

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-20100173888-A1 Nicotinamide Derivatives PFIZER INC 2010-07-08 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-20100173888-A1 Nicotinamide Derivatives NNT, NAMPT, NQO1 LMNA 1347/4885MAP4K4 2268/4885HPGDS 1073/4885

“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.