SCHEMBL2012144

SCHEMBL2012144

CC(C)(C)OC(=O)Nc1ccc(C(=O)CBr)nc1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.46
CYP17A1 P05093 2/20 0.45
MAPKAPK2 P49137 8/20 0.43
PSMB8 P28062 1/20 0.41
MAPK14 Q16539 1/20 0.41
MAP4K4 O95819 1/20 0.40
TRPA1 O75762 1/20 0.40
BCL2 P10415 1/20 0.40
AR P10275 1/20 0.39
P4HTM Q9NXG6 1/20 0.39

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
SCHEMBL29636435 1.00 NAMPT (0.46) NAMPTCYP17A1MAPKAPK2PSMB8MAPK14
SCHEMBL15079228 0.86 SMN1; SMN2 (0.45) P4HTM
SCHEMBL30564676 0.86 SMN1; SMN2 (0.45) P4HTM
SCHEMBL5153340 0.83 NAMPT (0.50) NAMPTCYP17A1MAPKAPK2PSMB8MAP4K4
SCHEMBL2012546 0.83 NAMPT (0.50) NAMPTCYP17A1MAPKAPK2PSMB8MAP4K4
SCHEMBL29929054 0.83 P4HTM (0.54) NAMPTCYP17A1P4HTM
SCHEMBL1734048 0.83 P4HTM (0.54) NAMPTCYP17A1P4HTM
SCHEMBL19470129 0.82 NAMPT (0.49) NAMPTCYP17A1MAPKAPK2PSMB8MAP4K4
SCHEMBL64988 0.82 MAPK1 (0.51) NAMPTCYP17A1MAPKAPK2PSMB8MAP4K4
SCHEMBL925018 0.81 NAMPT (0.48) NAMPTCYP17A1MAPKAPK2PSMB8MAP4K4

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 15 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-9120822-B2 Tricyclic antibiotics BASILEA PHARMACEUTICA AG (CH) 2015-09-01 US disclosed
US-20150152112-A1 COMPOUNDS ONO PHARMACEUTICAL CO., LTD. (JP) 2015-06-04 US disclosed
US-20150072975-A1 TRICYCLIC ANTIBIOTICS BASILEA PHARMACEUTICA AG 2015-03-12 US disclosed
US-8927541-B2 Tricyclic antibiotics BASILEA PHARMACEUTICA AG (CH) 2015-01-06 US disclosed
EP-2513115-B1 TRICYCLIC ANTIBIOTICS BASILEA PHARMACEUTICA AG (CH) 2013-10-09 EP disclosed
EP-2513115-A1 TRICYCLIC ANTIBIOTICS Basilea Pharmaceutica AG (CH) 2012-10-24 EP disclosed
US-20120245345-A1 TRICYCLIC ANTIBIOTICS BASILEA PHARMACEUTICA AG (CH) 2012-09-27 US disclosed
WO-2011073378-A1 TRICYCLIC ANTIBIOTICS BASILEA PHARMACEUTICA AG (CH) 2011-06-23 WO 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 (5 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-20120245345-A1 TRICYCLIC ANTIBIOTICS CBR1, CBR3, C1S NAMPT 2821/4885CYP17A1 1451/4885MAPKAPK2 4732/4885
US-20150152112-A1 COMPOUNDS F11, F12, F10 NAMPT 998/4885CYP17A1 169/4885MAPKAPK2 3861/4885
US-20170305917-A1 COMPOUNDS F11, F12, F10 NAMPT 998/4885CYP17A1 169/4885MAPKAPK2 3861/4885
US-10717738-B2 Pyrimidinone and its derivatives inhibiting factor XIa F11, TFPI, F10 NAMPT 395/4885CYP17A1 365/4885MAPKAPK2 2594/4885
US-20150072975-A1 TRICYCLIC ANTIBIOTICS TREH, MRPL21, SPOUT1 NAMPT 1088/4885CYP17A1 529/4885MAPKAPK2 4357/4885

“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.