SCHEMBL12191128

SCHEMBL12191128

CC(NC(=O)c1cncc(-c2cccnc2)c1)c1ccc(F)cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GPR55 Q9Y2T6 3/20 0.53
▸ NPC1 O15118 1/20 0.52
▸ ROCK2 O75116 8/20 0.50
▸ ROCK1 Q13464 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ ABL1 P00519 1/20 0.47
▸ OPRM1 P35372 1/20 0.47
▸ KCNH2 Q12809 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ CLK1 P49759 1/20 0.47
▸ SCN10A Q9Y5Y9 1/20 0.47
▸ XDH P47989 2/20 0.47

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
SCHEMBL12191029 0.89 ROCK2 (0.57) NPC1ROCK2ROCK1KMT2AALDH1A1
SCHEMBL12191087 0.89 ROCK2 (0.57) NPC1ROCK2ROCK1KMT2AALDH1A1
SCHEMBL27870261 0.86 NPC1 (0.61) NPC1ROCK2KMT2AALDH1A1LMNA
SCHEMBL30573569 0.86 NPC1 (0.61) NPC1ROCK2KMT2AALDH1A1LMNA
SCHEMBL12191092 0.86 NPC1 (0.65) NPC1ROCK2ROCK1KMT2AALDH1A1
SCHEMBL12191054 0.86 NPC1 (0.65) NPC1ROCK2ROCK1KMT2AALDH1A1
SCHEMBL12190909 0.85 XDH (0.54) NPC1ROCK2ROCK1KMT2AALDH1A1
SCHEMBL12191024 0.81 HPGDS (0.49) NPC1ROCK2ROCK1KMT2AALDH1A1
SCHEMBL13229283 0.80 NPC1 (0.59) NPC1ROCK2ROCK1KMT2AALDH1A1
SCHEMBL13325935 0.80 NPC1 (0.59) NPC1ROCK2ROCK1KMT2AALDH1A1

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 GPR55 2285/4885NPC1 825/4885ROCK2 1803/4885

“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.

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