SCHEMBL964428

SCHEMBL964428

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ MAPT P10636 10/20 0.41
▸ KDM4E B2RXH2 6/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ HTT P42858 2/20 0.41
▸ USP2 O75604 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ POLB P06746 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ ALOX12 P18054 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ MDM2 Q00987 1/20 0.40
▸ HKDC1 Q2TB90 1/20 0.40
▸ SAE1 Q9UBE0 1/20 0.40
▸ UBA2 Q9UBT2 1/20 0.40
▸ MAPK8 P45983 5/20 0.39
▸ MAPK9 P45984 4/20 0.39
▸ MAPK10 P53779 2/20 0.39
▸ RXFP1 Q9HBX9 2/20 0.39

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
SCHEMBL965940 0.92 ALDH1A1 (0.42) SMN1; SMN2MAPTKDM4EALDH1A1KMT2A
SCHEMBL964160 0.89 ALDH1A1 (0.40) SMN1; SMN2MAPTKDM4EALDH1A1KMT2A
SCHEMBL5569185 0.89 MAPK8 (0.42) MAPTKDM4EALDH1A1KMT2AHTT
SCHEMBL5568817 0.89 ALDH1A1 (0.40) SMN1; SMN2MAPTKDM4EALDH1A1KMT2A
SCHEMBL1010116 0.89 POLB (0.40) MAPTKDM4EALDH1A1KMT2AHTT
SCHEMBL964165 0.88 ALDH1A1 (0.39) MAPTKDM4EALDH1A1KMT2AHTT
SCHEMBL967116 0.86 RXFP1 (0.40) MAPTKDM4EALDH1A1KMT2AHTT
SCHEMBL10181136 0.85 MAPK8 (0.47) SMN1; SMN2KDM4EKMT2AGAAMEN1
SCHEMBL964886 0.85 POLB (0.37) MAPTKDM4EALDH1A1KMT2AHTT
SCHEMBL964431 0.84 MAPK8 (0.41) SMN1; SMN2MAPTKDM4EALDH1A1KMT2A

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-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-20110021525-A1 P70S6 Kinase Modulators and Method of Use EXELIXIS, INC. (US) 2011-01-27 — — 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 2850/4885MAPT 3812/4885KDM4E 1347/4885
US-20070208020-A1 P70S6 Kinase Modulators And Method Of Use EEF2K, RPS6KA3, MTOR SMN1; SMN2 2850/4885MAPT 3812/4885KDM4E 1347/4885

“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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