SCHEMBL12191029

SCHEMBL12191029

C[C@@H](NC(=O)c1cncc(-c2cccnc2)c1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 5/20 0.57
▸ MAPK1 P28482 2/20 0.57
▸ RPS6KA5 O75582 1/20 0.57
▸ MAP4K4 O95819 1/20 0.57
▸ CDK1 P06493 1/20 0.57
▸ CSF1R P07333 1/20 0.57
▸ PRKACA P17612 1/20 0.57
▸ FLT1 P17948 1/20 0.57
▸ RPS6KB1 P23443 1/20 0.57
▸ CDK2 P24941 1/20 0.57
▸ AKT1 P31749 1/20 0.57
▸ FLT4 P35916 1/20 0.57
▸ KDR P35968 1/20 0.57
▸ FLT3 P36888 1/20 0.57
▸ GSK3A P49840 1/20 0.57
▸ GSK3B P49841 1/20 0.57
▸ RPS6KA3 P51812 1/20 0.57
▸ PRKX P51817 1/20 0.57
▸ LIMK1 P53667 1/20 0.57
▸ PRKCD Q05655 1/20 0.57

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
SCHEMBL12191087 1.00 ROCK2 (0.57) ROCK2MAPK1RPS6KA5MAP4K4CDK1
SCHEMBL12191128 0.89 GPR55 (0.53) ROCK2ROCK1XDHLMNAMEN1
SCHEMBL12191130 0.89 ROCK2 (0.74) ROCK2MAPK1RPS6KA5MAP4K4CDK1
SCHEMBL14880128 0.85 ROCK2 (0.63) ROCK2MAPK1RPS6KA5MAP4K4CDK1
SCHEMBL10822708 0.85 ROCK2 (0.63) ROCK2MAPK1RPS6KA5MAP4K4CDK1
SCHEMBL12190887 0.85 ROCK2 (0.61) ROCK2MAPK1RPS6KA5MAP4K4CDK1
SCHEMBL5224427 0.85 ROCK2 (0.57) ROCK2MAPK1RPS6KA5MAP4K4CDK1
SCHEMBL5214941 0.85 ROCK2 (0.57) ROCK2MAPK1RPS6KA5MAP4K4CDK1
SCHEMBL12191054 0.84 NPC1 (0.65) ROCK2MAPK1RPS6KA5MAP4K4CDK1
SCHEMBL12191092 0.84 NPC1 (0.65) ROCK2MAPK1RPS6KA5MAP4K4CDK1

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 ROCK2 1803/4885MAPK1 48/4885RPS6KA5 1000/4885

“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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