SCHEMBL966062

SCHEMBL966062

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.40
▸ RXFP1 Q9HBX9 3/20 0.40
▸ TP53 P04637 2/20 0.40
▸ KMT2A Q03164 5/20 0.39
▸ MEN1 O00255 4/20 0.39
▸ HPGD P15428 3/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ KIT P10721 1/20 0.37
▸ KDR P35968 1/20 0.37
▸ MAPK14 Q16539 1/20 0.37
▸ CTDSP1 Q9GZU7 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ GAA P10253 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ HTT P42858 1/20 0.37

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
SCHEMBL964139 0.90 KMT2A (0.48) MAPTRXFP1TP53KMT2AMEN1
SCHEMBL967745 0.87 KMT2A (0.47) MAPTRXFP1TP53KMT2AMEN1
SCHEMBL966063 0.85 KMT2A (0.37) MAPTRXFP1TP53KMT2AMEN1
SCHEMBL1010086 0.80 KMT2A (0.48) MAPTRXFP1TP53KMT2AMEN1
SCHEMBL1012121 0.80 KMT2A (0.45) MAPTRXFP1TP53KMT2AMEN1
SCHEMBL965594 0.78 KMT2A (0.43) MAPTRXFP1TP53KMT2AMEN1
SCHEMBL966826 0.78 KMT2A (0.61) MAPTRXFP1TP53KMT2AMEN1
SCHEMBL964841 0.78 KMT2A (0.49) MAPTRXFP1TP53KMT2AMEN1
SCHEMBL5568817 0.77 ALDH1A1 (0.40) MAPTRXFP1TP53KMT2AMEN1
SCHEMBL10180610 0.77 TRPV4 (0.49) KMT2AMEN1HPGDSMN1; SMN2LMNA

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-20110021525-A1 P70S6 Kinase Modulators and Method of Use EXELIXIS, INC. (US) 2011-01-27 — — US claimed
US-20070208020-A1 P70S6 Kinase Modulators And Method Of Use EXELIXIS, INC. 2007-09-06 — — US claimed
EP-1678168-B1 P70S6 KINASE MODULATORS AND METHOD OF USE EXELIXIS INC (US) 2012-07-11 — — EP 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 (2 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-20110021525-A1 P70S6 Kinase Modulators and Method of Use EEF2K, RPS6KA3, MTOR MAPT 3812/4885RXFP1 3233/4885TP53 1327/4885
US-20070208020-A1 P70S6 Kinase Modulators And Method Of Use EEF2K, RPS6KA3, MTOR MAPT 3812/4885RXFP1 3233/4885TP53 1327/4885

“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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