SCHEMBL967099

SCHEMBL967099

N#Cc1c(SCC(=O)Nc2cccc(C(F)(F)F)c2)nc(N)nc1N1CCOCC1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.57
▸ RXFP1 Q9HBX9 3/20 0.57
▸ KMT2A Q03164 3/20 0.53
▸ LMNA P02545 3/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ THRB P10828 1/20 0.53
▸ PKM P14618 1/20 0.53
▸ HPGD P15428 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ MAPT P10636 6/20 0.53
▸ TP53 P04637 4/20 0.53
▸ AKT1 P31749 1/20 0.49
▸ POLB P06746 2/20 0.48
▸ ALDH1A1 P00352 1/20 0.45
▸ IDH2 P48735 1/20 0.45
▸ CTDSP1 Q9GZU7 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL10327348 0.89 AKT1 (0.52) SMN1; SMN2RXFP1LMNAMAPTTP53
SCHEMBL964265 0.82 KMT2A (0.78) SMN1; SMN2RXFP1KMT2ALMNAMEN1
SCHEMBL964536 0.81 KMT2A (0.61) SMN1; SMN2RXFP1KMT2ALMNAMEN1
SCHEMBL968564 0.80 KMT2A (0.61) SMN1; SMN2RXFP1KMT2ALMNAMEN1
SCHEMBL3459729 0.78 KMT2A (0.59) SMN1; SMN2RXFP1KMT2ALMNAMEN1
SCHEMBL3459645 0.74 AKT1 (0.60) KMT2ALMNAMEN1L3MBTL1MAPT
SCHEMBL10180940 0.73 TRPV4 (0.45) SMN1; SMN2RXFP1KMT2ALMNAMEN1
SCHEMBL3459968 0.73 MEN1 (0.68) SMN1; SMN2RXFP1KMT2ALMNAMEN1
SCHEMBL966826 0.72 KMT2A (0.61) SMN1; SMN2RXFP1KMT2ALMNAMEN1
SCHEMBL12946845 0.72 TRPV4 (0.44) SMN1; SMN2KMT2ALMNAMEN1THRB

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 14 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 claimed
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
EP-1678168-B1 P70S6 KINASE MODULATORS AND METHOD OF USE EXELIXIS INC (US) 2012-07-11 — — EP disclosed
EP-1678168-B1 P70S6 KINASE MODULATORS AND METHOD OF USE EXELIXIS INC (US) 2012-07-11 — — EP disclosed
US-20110021525-A1 P70S6 Kinase Modulators and Method of Use EXELIXIS, INC. (US) 2011-01-27 — — US disclosed
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-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
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 SMN1; SMN2 2850/4885RXFP1 3233/4885KMT2A 3420/4885
US-20070208020-A1 P70S6 Kinase Modulators And Method Of Use EEF2K, RPS6KA3, MTOR SMN1; SMN2 2850/4885RXFP1 3233/4885KMT2A 3420/4885

“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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