SCHEMBL16754096

SCHEMBL16754096

CC(Br)C(=O)c1ccc(NC(=O)OC(C)(C)C)nc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 1/20 0.45
▸ BCL2 P10415 1/20 0.44
▸ HCAR3 P49019 6/20 0.43
▸ HDAC1 Q13547 1/20 0.42
▸ NAMPT P43490 2/20 0.40
▸ GSK3B P49841 1/20 0.40
▸ DYRK1A Q13627 1/20 0.40
▸ TRPA1 O75762 1/20 0.39
▸ DEGS1 O15121 3/20 0.39
▸ HCAR2 Q8TDS4 2/20 0.38
▸ CYP17A1 P05093 1/20 0.38

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
SCHEMBL28658285 0.82 GRIN2B (0.48) GRIN2BBCL2HCAR3HDAC1NAMPT
SCHEMBL29651977 0.82 HCAR3 (0.57) GRIN2BBCL2HCAR3HDAC1HCAR2
SCHEMBL31727242 0.82 GRIN2B (0.48) GRIN2BBCL2HCAR3HDAC1NAMPT
SCHEMBL2877186 0.82 HCAR3 (0.57) GRIN2BBCL2HCAR3HDAC1HCAR2
SCHEMBL16296314 0.81 GSK3B (0.41) GRIN2BBCL2HDAC1NAMPTGSK3B
SCHEMBL5734042 0.81 NNMT (0.58) GRIN2BBCL2HDAC1NAMPTGSK3B
SCHEMBL7936803 0.81 HCAR3 (0.55) GRIN2BBCL2HCAR3HDAC1HCAR2
SCHEMBL2772417 0.81 MAPK1 (0.51) GRIN2BBCL2HCAR3HDAC1NAMPT
SCHEMBL16482204 0.80 PTK2 (0.53) HCAR3HDAC1DEGS1HCAR2
SCHEMBL27992607 0.80 HCAR3 (0.54) HCAR3HDAC1DEGS1HCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10717738-B2 Pyrimidinone and its derivatives inhibiting factor XIa ONO PHARMACEUTICAL CO., LTD. (JP) 2020-07-21 — — US disclosed
EP-3290413-B9 PYRIDINONE AND PYRIMIDINONE DERIVATIVES AS FACTOR XIA INHIBITORS ONO PHARMACEUTICAL CO (JP) 2020-04-29 — — EP disclosed
EP-3290413-B1 PYRIDINONE AND PYRIMIDINONE DERIVATIVES AS FACTOR XIA INHIBITORS ONO PHARMACEUTICAL CO (JP) 2019-11-13 — — EP disclosed
EP-3290413-A1 PYRIDINONE AND PYRIMIDINONE DERIVATIVES AS FACTOR XIA INHIBITORS ONO Pharmaceutical Co., Ltd. (JP) 2018-03-07 — — EP disclosed
EP-2794597-B1 PYRIDINONE AND PYRIMIDINONE DERIVATIVES AS FACTOR XIA INHIBITORS ONO PHARMACEUTICAL CO (JP) 2017-11-15 — — EP disclosed
US-20170305917-A1 COMPOUNDS ONO PHARMACEUTICAL CO., LTD. (JP) 2017-10-26 — — US disclosed
US-9732085-B2 Pyridinone and pyrimidinone derivatives as factor Xia ONO PHARMACEUTICAL CO., LTD. (JP) 2017-08-15 — — US disclosed
US-20150152112-A1 COMPOUNDS ONO PHARMACEUTICAL CO., LTD. (JP) 2015-06-04 — — 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 (3 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-20150152112-A1 COMPOUNDS F11, F12, F10 GRIN2B 4551/4885BCL2 2818/4885HCAR3 3121/4885
US-20170305917-A1 COMPOUNDS F11, F12, F10 GRIN2B 4551/4885BCL2 2818/4885HCAR3 3121/4885
US-10717738-B2 Pyrimidinone and its derivatives inhibiting factor XIa F11, TFPI, F10 GRIN2B 3991/4885BCL2 4543/4885HCAR3 4085/4885

“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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