SCHEMBL3459084

SCHEMBL3459084

CSc1nc(N)nc(N[C@@H](CCCOC(N)=O)C(=O)Nc2cccc(C(F)(F)F)c2)c1C#N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ PKM P14618 2/20 0.44
▸ HPGD P15428 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ THRB P10828 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ LCK P06239 3/20 0.38
▸ TEK Q02763 2/20 0.38
▸ MAPT P10636 5/20 0.37
▸ ALDH1A1 P00352 4/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ USP2 O75604 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ RXFP1 Q9HBX9 4/20 0.37
▸ TP53 P04637 2/20 0.37
▸ HDAC4 P56524 1/20 0.36
▸ MEF2D Q14814 1/20 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
SCHEMBL12947124 0.92 SMN1; SMN2 (0.46) SMN1; SMN2KMT2AMEN1PKMHPGD
SCHEMBL964362 0.91 SMN1; SMN2 (0.47) SMN1; SMN2KMT2AMEN1PKMHPGD
SCHEMBL12946922 0.90 SMN1; SMN2 (0.45) SMN1; SMN2KMT2AMEN1PKMHPGD
SCHEMBL3459376 0.90 SMN1; SMN2 (0.46) SMN1; SMN2KMT2AMEN1PKMHPGD
SCHEMBL964825 0.90 SMN1; SMN2 (0.46) SMN1; SMN2KMT2AMEN1PKMHPGD
SCHEMBL3461159 0.89 SMN1; SMN2 (0.49) SMN1; SMN2KMT2AMEN1PKMHPGD
SCHEMBL12946851 0.89 SMN1; SMN2 (0.43) SMN1; SMN2KMT2AMEN1PKMHPGD
SCHEMBL966006 0.89 SMN1; SMN2 (0.44) SMN1; SMN2KMT2AMEN1PKMHPGD
SCHEMBL10180845 0.89 SMN1; SMN2 (0.45) SMN1; SMN2KMT2AMEN1PKMHPGD
SCHEMBL3459884 0.89 LCK (0.38) SMN1; SMN2KMT2AMEN1LMNALCK

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 2 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 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 SMN1; SMN2 2850/4885KMT2A 3420/4885MEN1 4049/4885

“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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