SCHEMBL3459305

SCHEMBL3459305

CCOc1nc(N)nc(N[C@@H](CCCOC(N)=O)C(=O)Nc2cccc(C(F)(F)F)c2)c1C#N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 2/20 0.39
▸ TEK Q02763 1/20 0.39
▸ HDAC4 P56524 1/20 0.39
▸ MEF2D Q14814 1/20 0.39
▸ MAPK8 P45983 4/20 0.38
▸ MAPK9 P45984 3/20 0.38
▸ PRKD3 O94806 2/20 0.38
▸ ALDH1A1 P00352 4/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ POLB P06746 2/20 0.37
▸ RPS27 P42677 2/20 0.37
▸ ALOX12 P18054 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ IDH2 P48735 2/20 0.36
▸ RXFP1 Q9HBX9 2/20 0.36

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
SCHEMBL3459884 0.93 LCK (0.38) LCKTEKHDAC4MEF2DALDH1A1
SCHEMBL968114 0.92 HDAC4 (0.40) LCKTEKHDAC4MEF2DMAPK8
SCHEMBL12947087 0.91 MAPK8 (0.38) LCKTEKHDAC4MEF2DMAPK8
SCHEMBL963866 0.91 HDAC4 (0.41) LCKTEKHDAC4MEF2DMAPK8
SCHEMBL3459514 0.90 MAPK8 (0.39) LCKTEKHDAC4MEF2DMAPK8
SCHEMBL968111 0.90 MAPK8 (0.37) LCKTEKHDAC4MEF2DMAPK8
SCHEMBL967914 0.90 MAPT (0.40) LCKTEKHDAC4MEF2DMAPK8
SCHEMBL10181069 0.90 ALDH1A1 (0.39) LCKTEKHDAC4MEF2DMAPK8
SCHEMBL3459965 0.90 MAPK8 (0.39) LCKTEKHDAC4MEF2DMAPK8
SCHEMBL12947088 0.89 SMN1; SMN2 (0.41) LCKTEKMAPK8MAPK9PRKD3

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-7816353-B2 P70S6 kinase modulators and method of use EXELIXIS, INC. (US) 2010-10-19 — — US claimed
US-20070208020-A1 P70S6 Kinase Modulators And Method Of Use EXELIXIS, INC. 2007-09-06 — — US claimed
US-7816353-B2 P70S6 kinase modulators and method of use EXELIXIS, INC. (US) 2010-10-19 — — US disclosed
US-20070208020-A1 P70S6 Kinase Modulators And Method Of Use EXELIXIS, INC. 2007-09-06 — — 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-20070208020-A1 P70S6 Kinase Modulators And Method Of Use EEF2K, RPS6KA3, MTOR LCK 498/4885TEK 576/4885HDAC4 980/4885

“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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