SCHEMBL15711192

SCHEMBL15711192

CC1(C=C(C#N)C(N)=O)COC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 4/20 0.36
▸ PKM P14618 1/20 0.36
▸ MCL1 Q07820 2/20 0.35
▸ GAA P10253 3/20 0.34
▸ LMNA P02545 2/20 0.34
▸ KDM4E B2RXH2 5/20 0.33
▸ MAPT P10636 5/20 0.33
▸ MEN1 O00255 5/20 0.33
▸ KMT2A Q03164 5/20 0.33
▸ ALDH1A1 P00352 4/20 0.33
▸ POLB P06746 2/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ APEX1 P27695 1/20 0.33
▸ BLM P54132 1/20 0.33
▸ CYP1A2 P05177 4/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ CYP2C9 P11712 2/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ RAB9A P51151 1/20 0.33

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
SCHEMBL15711190 1.00 EGFR (0.36) EGFRPKMMCL1GAALMNA
SCHEMBL18959127 0.84 EPHX1 (0.30) —
SCHEMBL18959114 0.82 — —
SCHEMBL18960362 0.82 — —
SCHEMBL18959132 0.79 — —
SCHEMBL18959154 0.79 MAPT (0.35) LMNAKDM4EMAPTKMT2AALDH1A1
SCHEMBL19421183 0.79 MEN1 (0.40) MAPTMEN1KMT2AALDH1A1
SCHEMBL19427232 0.74 — —
SCHEMBL18042978 0.69 MCL1 (0.43) EGFRMCL1GAALMNAKDM4E
SCHEMBL15711161 0.69 BTK (0.35) EGFRGAALMNAKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160257686-A1 Purinone Derivatives as Tyrosine Kinase Inhibitors PRINCIPIA BIOPHARMA INC. (US) 2016-09-08 — — US claimed
US-20160257686-A1 Purinone Derivatives as Tyrosine Kinase Inhibitors PRINCIPIA BIOPHARMA INC. (US) 2016-09-08 — — US disclosed
US-20140142099-A1 Purinone Derivatives as Tyrosine Kinase Inhibitors PRINCIPIA BIOPHARMA INC. (US) 2014-05-22 — — 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-20140142099-A1 Purinone Derivatives as Tyrosine Kinase Inhibitors BMX, BLK, ITK EGFR 20/4885PKM 1717/4885MCL1 989/4885
US-20160257686-A1 Purinone Derivatives as Tyrosine Kinase Inhibitors BMX, BLK, ITK EGFR 20/4885PKM 1717/4885MCL1 989/4885

“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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