SCHEMBL13551230

SCHEMBL13551230

Cc1cnc(NC(=O)Nc2cc(C)c(C)cc2OC[C@@H]2CCCCO2)cn1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 8/20 0.63
▸ FECH P22830 1/20 0.63
▸ KCNH2 Q12809 1/20 0.63
▸ RPS6KA3 P51812 3/20 0.49
▸ SRPK1 Q96SB4 3/20 0.49
▸ MAP4K4 O95819 2/20 0.47
▸ RET P07949 2/20 0.47
▸ FLT4 P35916 2/20 0.47
▸ CLK2 P49760 2/20 0.47
▸ GSK3B P49841 2/20 0.47
▸ IRAK1 P51617 2/20 0.47
▸ BRSK1 Q8TDC3 2/20 0.47
▸ MAP4K5 Q9Y4K4 2/20 0.47
▸ PLK4 O00444 1/20 0.47
▸ PDPK1 O15530 1/20 0.47
▸ CSF1R P07333 1/20 0.47
▸ FER P16591 1/20 0.47
▸ KDR P35968 1/20 0.47
▸ FLT3 P36888 1/20 0.47
▸ STK3 Q13188 1/20 0.47

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
SCHEMBL13551232 0.92 CHEK1 (0.75) CHEK1FECHKCNH2RPS6KA3SRPK1
SCHEMBL13551234 0.91 CHEK1 (0.58) CHEK1FECHKCNH2RPS6KA3SRPK1
SCHEMBL2032815 0.86 CHEK1 (0.56) CHEK1FECHKCNH2RPS6KA3SRPK1
SCHEMBL305203 0.84 CHEK1 (0.86) CHEK1FECHKCNH2RPS6KA3SRPK1
SCHEMBL14189549 0.84 CHEK1 (0.86) CHEK1FECHKCNH2RPS6KA3SRPK1
SCHEMBL26799830 0.81 CHEK1 (0.58) CHEK1FECHKCNH2RPS6KA3SRPK1
SCHEMBL14996459 0.81 CHEK1 (0.74) CHEK1FECHKCNH2RPS6KA3SRPK1
SCHEMBL10076338 0.81 CHEK1 (0.74) CHEK1FECHKCNH2RPS6KA3SRPK1
SCHEMBL305244 0.78 CHEK1 (0.79) CHEK1FECHKCNH2RPS6KA3SRPK1
SCHEMBL305243 0.78 CHEK1 (0.79) CHEK1FECHKCNH2RPS6KA3SRPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8455471-B2 Compositions of CHK1 inhibitors and cyclodextrin ICOS CORPORATION (US) 2013-06-04 — — US disclosed
US-20100022512-A1 COMPOSITIONS OF CHK1 INHIBITORS AND CYCLODEXTRIN WISDOM WENDY A 2010-01-28 — — 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 (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-20100022512-A1 COMPOSITIONS OF CHK1 INHIBITORS AND CYCLODEXTRIN CHEK1, CHEK2, DDB1 CHEK1 1/4885FECH 2321/4885KCNH2 4683/4885

“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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