SCHEMBL3226601

SCHEMBL3226601

Cc1ccc(-c2cccnc2)cc1C(N)=O

nearest known ligand 0.78

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 14/20 0.78
MKNK2 Q9HBH9 14/20 0.78
SIRT3 Q9NTG7 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
BTK Q06187 1/20 0.53
SLC2A1 P11166 1/20 0.50
KMO O15229 1/20 0.49
KCNH2 Q12809 1/20 0.48

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
SCHEMBL10024284 0.86 MKNK1 (0.62) MKNK1MKNK2SLC2A1KMO
SCHEMBL28258123 0.84 MKNK1 (0.72) MKNK1MKNK2SIRT3TDP1BTK
SCHEMBL5305039 0.83 MKNK1 (0.68) MKNK1MKNK2KMO
SCHEMBL3343643 0.83 MKNK1 (0.54) MKNK1MKNK2SIRT3TDP1BTK
SCHEMBL15818270 0.82 MKNK1 (0.69) MKNK1MKNK2SIRT3TDP1BTK
SCHEMBL17067114 0.82 MKNK1 (0.67) MKNK1MKNK2KMO
SCHEMBL3346810 0.81 MKNK1 (0.52) MKNK1MKNK2SIRT3TDP1KCNH2
SCHEMBL3342702 0.81 CHUK (0.68) MKNK1MKNK2SIRT3TDP1BTK
SCHEMBL7120106 0.80 IKBKB (0.66) MKNK1MKNK2
SCHEMBL4027305 0.80 MMP2 (0.60) MKNK1MKNK2SLC2A1

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-2050749-B1 PYRIMIDINE DERIVATIVE AS PI3K INHIBITOR AND USE THEREOF CHUGAI PHARMACEUTICAL CO LTD (JP) 2017-11-22 EP claimed
US-20100069629-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITOR AND USE THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-03-18 US claimed
EP-2050749-A1 PYRIMIDINE DERIVATIVE AS PI3K INHIBITOR AND USE THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-04-22 EP claimed
EP-2050749-B1 PYRIMIDINE DERIVATIVE AS PI3K INHIBITOR AND USE THEREOF CHUGAI PHARMACEUTICAL CO LTD (JP) 2017-11-22 EP disclosed
US-20100069629-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITOR AND USE THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-03-18 US disclosed
EP-2050749-A1 PYRIMIDINE DERIVATIVE AS PI3K INHIBITOR AND USE THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-04-22 EP 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 (1 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-20100069629-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITOR AND USE THEREOF PIK3CA, AKT3, AKT1 MKNK1 243/4885MKNK2 485/4885SIRT3 2987/4885

“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.