SCHEMBL12191024

SCHEMBL12191024

CC(NC(=O)c1cncc(-c2cccs2)c1)c1ccc(F)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 1/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ KMT2A Q03164 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ ROCK2 O75116 12/20 0.46
▸ ROCK1 Q13464 10/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ CSNK1D P48730 1/20 0.43
▸ CSNK1E P49674 1/20 0.43
▸ RPS6KA5 O75582 1/20 0.43
▸ MAP4K4 O95819 1/20 0.43
▸ CDK1 P06493 1/20 0.43
▸ CSF1R P07333 1/20 0.43
▸ PRKACA P17612 1/20 0.43
▸ FLT1 P17948 1/20 0.43
▸ RPS6KB1 P23443 1/20 0.43
▸ CDK2 P24941 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ AKT1 P31749 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
SCHEMBL12190848 0.90 MEN1 (0.58) HPGDSNPC1KMT2AMEN1ROCK2
SCHEMBL14082969 0.84 NPC1 (0.63) HPGDSNPC1KMT2AMEN1ROCK2
SCHEMBL12190998 0.84 XDH (0.59) HPGDSNPC1KMT2AMEN1ALDH1A1
SCHEMBL12191128 0.81 GPR55 (0.53) NPC1KMT2AMEN1ROCK2ROCK1
SCHEMBL12191092 0.81 NPC1 (0.65) NPC1KMT2AMEN1ROCK2ROCK1
SCHEMBL12191054 0.81 NPC1 (0.65) NPC1KMT2AMEN1ROCK2ROCK1
SCHEMBL12190909 0.80 XDH (0.54) NPC1KMT2AROCK2ROCK1ALDH1A1
SCHEMBL12190988 0.79 XDH (0.44) HPGDSNPC1
SCHEMBL13229283 0.78 NPC1 (0.59) NPC1KMT2AMEN1ROCK2ROCK1
SCHEMBL13325935 0.78 NPC1 (0.59) NPC1KMT2AMEN1ROCK2ROCK1

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
EP-1569907-B1 NICOTINAMIDE-BASED KINASE INHIBITORS YM BIOSCIENCES AUSTRALIA PTY (AU) 2016-03-09 — — EP disclosed
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 HPGDS 2012/4885NPC1 825/4885KMT2A 1738/4885

“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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