SCHEMBL12190845

SCHEMBL12190845

O=C(NCc1cccc(F)c1)c1cncc(-c2ccc3c(c2)OCO3)c1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.64
TSHR P16473 2/20 0.64
AURKA O14965 1/20 0.58
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
LMNA P02545 1/20 0.55
MAPK1 P28482 1/20 0.55
MMP13 P45452 1/20 0.55
HSD17B10 Q99714 1/20 0.53
SCN2A Q99250 1/20 0.51
SCN10A Q9Y5Y9 1/20 0.51
CHRM3 P20309 6/20 0.50
CTSA P10619 1/20 0.50
CLK1 P49759 1/20 0.50
CLK4 Q9HAZ1 1/20 0.50
ROCK2 O75116 1/20 0.50
PSMD14 O00487 1/20 0.49
COPS5 Q92905 1/20 0.49
CHRM1 P11229 1/20 0.48

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
SCHEMBL12190960 0.83 HPGD (0.58) HPGDTSHRAURKAMEN1KMT2A
SCHEMBL12190895 0.82 SCN2A (0.61) AURKASCN2ASCN10AROCK2
SCHEMBL12190973 0.81 NPC1 (0.68) HPGDMEN1KMT2ALMNASCN2A
SCHEMBL12190967 0.80 KDM1A (0.56) HPGDAURKAMEN1KMT2AHSD17B10
SCHEMBL12190968 0.80 HDAC1 (0.67) HPGDAURKAMEN1KMT2ALMNA
SCHEMBL5213575 0.79 HPGD (0.77) HPGDTSHRAURKAMEN1KMT2A
SCHEMBL12190962 0.79 FYN (0.56) HPGDAURKAMEN1KMT2ALMNA
SCHEMBL12190955 0.78 SCN2A (0.57) HPGDAURKAMEN1KMT2ALMNA
SCHEMBL12190997 0.75 RAB9A (0.51) AURKAMEN1KMT2AMAPK1SCN2A
SCHEMBL12190980 0.75 HPGD (0.57) HPGDMEN1KMT2ASCN10ACTSA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8030336-B2 Nicotinamide-based kinase inhibitors YM BIOSCIENCES AUSTRALIA PTY LTD (AU) 2011-10-04 US disclosed
US-8030336-B2 Nicotinamide-based kinase inhibitors YM BIOSCIENCES AUSTRALIA PTY LTD (AU) 2011-10-04 US disclosed
US-20070060619-A1 Nicotinamide-based kinase inhibitors CYTOPIA PTY LTD (AU) 2007-03-15 US disclosed
US-20070060619-A1 Nicotinamide-based kinase inhibitors CYTOPIA PTY LTD (AU) 2007-03-15 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-20070060619-A1 Nicotinamide-based kinase inhibitors NADK, NAMPT, PDXK HPGD 325/4885TSHR 3114/4885AURKA 638/4885

“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.