SCHEMBL964852

SCHEMBL964852

CSc1nc(N)nc(OC2(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)c1C#N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ LMNA P02545 2/20 0.47
▸ PKM P14618 2/20 0.47
▸ HPGD P15428 2/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ THRB P10828 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ MAPT P10636 5/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ USP2 O75604 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ RXFP1 Q9HBX9 3/20 0.39
▸ TP53 P04637 2/20 0.39
▸ KDR P35968 4/20 0.39
▸ LCK P06239 3/20 0.39
▸ TEK Q02763 1/20 0.39
▸ CYP1A2 P05177 1/20 0.38

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
SCHEMBL10327151 0.89 LMNA (0.45) SMN1; SMN2KMT2ALMNAMEN1MAPT
SCHEMBL966091 0.82 KMT2A (0.48) SMN1; SMN2KMT2ALMNAPKMHPGD
SCHEMBL967015 0.82 KMT2A (0.56) SMN1; SMN2KMT2ALMNAPKMHPGD
SCHEMBL12915786 0.81 SMN1; SMN2 (0.47) SMN1; SMN2KMT2ALMNAPKMHPGD
SCHEMBL964525 0.81 SMN1; SMN2 (0.47) SMN1; SMN2KMT2ALMNAPKMHPGD
SCHEMBL964349 0.81 KMT2A (0.49) SMN1; SMN2KMT2ALMNAPKMHPGD
SCHEMBL963698 0.81 KMT2A (0.49) SMN1; SMN2KMT2ALMNAPKMHPGD
SCHEMBL963700 0.80 KMT2A (0.54) SMN1; SMN2KMT2ALMNAPKMHPGD
SCHEMBL10180495 0.77 KMT2A (0.47) SMN1; SMN2KMT2ALMNAPKMHPGD
SCHEMBL964265 0.77 KMT2A (0.78) SMN1; SMN2KMT2ALMNAPKMHPGD

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 15 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-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 2850/4885KMT2A 3420/4885LMNA 3817/4885
US-20070208020-A1 P70S6 Kinase Modulators And Method Of Use EEF2K, RPS6KA3, MTOR SMN1; SMN2 2850/4885KMT2A 3420/4885LMNA 3817/4885

“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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