SCHEMBL2012546

SCHEMBL2012546

CC(=O)c1ccc(NC(=O)OC(C)(C)C)cn1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.50
CYP17A1 P05093 2/20 0.47
PSMB8 P28062 1/20 0.44
MAPKAPK2 P49137 7/20 0.44
MAP4K4 O95819 1/20 0.43
TRPA1 O75762 1/20 0.43
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA9 Q16790 1/20 0.41
P4HTM Q9NXG6 2/20 0.40
ATR Q13535 1/20 0.40
BCL2 P10415 1/20 0.40

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
SCHEMBL5153340 0.88 NAMPT (0.50) NAMPTCYP17A1PSMB8MAPKAPK2MAP4K4
SCHEMBL29929054 0.88 P4HTM (0.54) NAMPTCYP17A1CA12CA1CA9
SCHEMBL1734048 0.88 P4HTM (0.54) NAMPTCYP17A1CA12CA1CA9
SCHEMBL19470129 0.87 NAMPT (0.49) NAMPTCYP17A1PSMB8MAPKAPK2MAP4K4
SCHEMBL64988 0.87 MAPK1 (0.51) NAMPTCYP17A1PSMB8MAPKAPK2MAP4K4
SCHEMBL30602659 0.85 NAMPT (0.51) NAMPTCYP17A1PSMB8MAPKAPK2MAP4K4
SCHEMBL20828515 0.85 NAMPT (0.51) NAMPTCYP17A1PSMB8MAPKAPK2MAP4K4
SCHEMBL20934803 0.84 NAMPT (0.47) NAMPTCYP17A1PSMB8MAPKAPK2MAP4K4
SCHEMBL25191218 0.84 SMN1; SMN2 (0.55) P4HTM
SCHEMBL6450357 0.83 NAMPT (0.46) NAMPTCYP17A1PSMB8MAPKAPK2MAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11351173-B2 Substituted pyrrolo[1,2-a]pyrimidines and their use in the treatment of medical disorders Bial—R&D Investments, S.A. (PT) 2022-06-07 US disclosed
US-9120822-B2 Tricyclic antibiotics BASILEA PHARMACEUTICA AG (CH) 2015-09-01 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
US-20080064682-A1 Pyrazole Derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-03-13 US disclosed
US-20070219210-A1 Amidopyrazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-09-20 US disclosed
CN-1980912-A Pyrazole derivatives DAIICHI SEIYAKU CO (JP) 2007-06-13 CN disclosed
EP-1762568-A1 PYRAZOLE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-14 EP disclosed
CN-1902191-A Amidopyrazole derivative DAIICHI SEIYAKU CO (JP) 2007-01-24 CN disclosed
EP-1698626-A1 AMIDOPYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-09-06 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 (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 1451/4885PSMB8 1357/4885
US-11351173-B2 Substituted pyrrolo[1,2-a]pyrimidines and their use in the treatment of medical disorders TYMP, PARK7, PNP NAMPT 154/4885CYP17A1 4137/4885PSMB8 694/4885
US-20080064682-A1 Pyrazole Derivatives NAT1, AR, CBR3 NAMPT 3346/4885CYP17A1 1110/4885PSMB8 2767/4885
US-20070219210-A1 Amidopyrazole Derivative PTGER1, PTGS1, PTGER2 NAMPT 2905/4885CYP17A1 1844/4885PSMB8 1104/4885
US-20150072975-A1 TRICYCLIC ANTIBIOTICS TREH, MRPL21, SPOUT1 NAMPT 1088/4885CYP17A1 529/4885PSMB8 1577/4885

“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.