Sugi Predict

Sugi Predict / Compounds / SCHEMBL10180865

SCHEMBL10180865

SCHEMBL10180865

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.39
▸ RXFP1 Q9HBX9 2/20 0.39
▸ HDAC4 P56524 2/20 0.38
▸ MEF2D Q14814 2/20 0.38
▸ SYK P43405 2/20 0.38
▸ MAPK8 P45983 2/20 0.37
▸ PRKD3 O94806 1/20 0.37
▸ MAPK9 P45984 1/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ POLB P06746 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ ALOX12 P18054 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ LCK P06239 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
▸ TRPV4 Q9HBA0 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
SCHEMBL963866 0.92 HDAC4 (0.41) KDM4ERXFP1HDAC4MEF2DSYK
SCHEMBL968114 0.91 HDAC4 (0.40) KDM4ERXFP1HDAC4MEF2DSYK
SCHEMBL10327383 0.90 KDM4E (0.42) KDM4ERXFP1HDAC4MEF2DSYK
SCHEMBL12946999 0.90 MAPK8 (0.40) KDM4ERXFP1MAPK8PRKD3MAPK9
SCHEMBL967914 0.89 MAPT (0.40) KDM4ERXFP1HDAC4MEF2DMAPK8
SCHEMBL12947087 0.89 MAPK8 (0.38) KDM4ERXFP1HDAC4MEF2DMAPK8
SCHEMBL3459305 0.89 LCK (0.39) KDM4ERXFP1HDAC4MEF2DMAPK8
SCHEMBL3459965 0.89 MAPK8 (0.39) KDM4ERXFP1HDAC4MEF2DMAPK8
SCHEMBL10181069 0.89 ALDH1A1 (0.39) KDM4ERXFP1HDAC4MEF2DMAPK8
SCHEMBL10181891 0.88 MEN1 (0.41) RXFP1HDAC4MEF2DMAPK8PRKD3

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1678168-B1 P70S6 KINASE MODULATORS AND METHOD OF USE EXELIXIS INC (US) 2012-07-11 — — EP claimed
US-20110021525-A1 P70S6 Kinase Modulators and Method of Use EXELIXIS, INC. (US) 2011-01-27 — — US disclosed
US-7816353-B2 P70S6 kinase modulators and method of use EXELIXIS, INC. (US) 2010-10-19 — — US disclosed
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
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 KDM4E 1347/4885RXFP1 3233/4885HDAC4 980/4885
US-20070208020-A1 P70S6 Kinase Modulators And Method Of Use EEF2K, RPS6KA3, MTOR KDM4E 1347/4885RXFP1 3233/4885HDAC4 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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