Sugi Predict

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SCHEMBL14650464

SCHEMBL14650464

CCOC(=O)/C(=C/c1cn([C@H]2CC[C@@H](O)CC2)cn1)CCCNC(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CPB2 Q96IY4 4/20 0.37
▸ JAK2 O60674 1/20 0.36
▸ JAK1 P23458 1/20 0.36
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ NPSR1 Q6W5P4 3/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ STK17B O94768 1/20 0.33
▸ STK17A Q9UEE5 1/20 0.33
▸ MERTK Q12866 1/20 0.33
▸ FPR3 P25089 2/20 0.33
▸ FPR2 P25090 2/20 0.33
▸ BRD4 O60885 1/20 0.32
▸ SIGMAR1 Q99720 1/20 0.32
▸ ATM Q13315 1/20 0.32

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
SCHEMBL12333583 1.00 CPB2 (0.37) CPB2JAK2JAK1MEN1KMT2A
SCHEMBL17750090 0.93 CPB2 (0.37) CPB2JAK2JAK1MEN1KMT2A
SCHEMBL14631230 0.90 CPB2 (0.38) CPB2JAK2JAK1MEN1KMT2A
SCHEMBL14631226 0.90 CPB2 (0.38) CPB2JAK2JAK1MEN1KMT2A
SCHEMBL14631228 0.90 CPB2 (0.38) CPB2JAK2JAK1MEN1KMT2A
SCHEMBL14650462 0.88 CPB2 (0.42) CPB2JAK2JAK1BRD4
SCHEMBL12333374 0.88 CPB2 (0.42) CPB2JAK2JAK1BRD4
SCHEMBL12333140 0.86 CPB2 (0.40) CPB2JAK2JAK1MEN1KMT2A
SCHEMBL14650463 0.86 SIGMAR1 (0.34) CPB2MEN1KMT2AALDH1A1TSHR
SCHEMBL12333285 0.86 SIGMAR1 (0.34) CPB2MEN1KMT2AALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105801489-B Cycloalkyl-substituted imidazole derivatives 第一三共株式会社 2019-12-10 — — CN disclosed
US-9340531-B2 Cycloalkyl-substituted imidazole derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2016-05-17 — — US disclosed
US-9340531-B2 Cycloalkyl-substituted imidazole derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2016-05-17 — — US disclosed
US-20130230501-A9 Cycloalkyl-Substituted Imidazole Derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-09-05 — — US disclosed
US-20130230501-A9 Cycloalkyl-Substituted Imidazole Derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-09-05 — — US disclosed
US-20130022587-A1 Cycloalkyl-Substituted Imidazole Derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-01-24 — — US disclosed
US-20130022587-A1 Cycloalkyl-Substituted Imidazole Derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-01-24 — — 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-20130022587-A1 Cycloalkyl-Substituted Imidazole Derivative F7, F12, TFPI CPB2 258/4885JAK2 1750/4885JAK1 1812/4885
US-20130230501-A9 Cycloalkyl-Substituted Imidazole Derivative F7, F12, TFPI CPB2 258/4885JAK2 1750/4885JAK1 1812/4885

“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.