SCHEMBL11894264

SCHEMBL11894264

CC(C)COc1ccc(C(=O)O)nc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 7/20 0.58
MDM2 Q00987 1/20 0.49
MCL1 Q07820 1/20 0.49
NR1H4 Q96RI1 3/20 0.49
TARBP2 Q15633 1/20 0.47
KDM4E B2RXH2 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
MAPK1 P28482 1/20 0.46
P4HA1 P13674 1/20 0.46
MIF P14174 1/20 0.46
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
PKM P14618 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
NFKB1 P19838 1/20 0.44

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
SCHEMBL11893864 0.84 MAPK1 (0.62) P4HTMNR1H4KDM4EL3MBTL1MAPK1
SCHEMBL1174077 0.83 P4HTM (0.58) P4HTMKDM4EL3MBTL1MAPK1P4HA1
SCHEMBL27951262 0.82 P4HTM (0.50) P4HTMMDM2MCL1KDM4EL3MBTL1
SCHEMBL1403507 0.81 P4HTM (0.63) P4HTMMDM2MCL1KDM4EL3MBTL1
SCHEMBL23960995 0.81 P4HTM (0.55) P4HTMKDM4EL3MBTL1MAPK1P4HA1
SCHEMBL711104 0.79 KMT2A (0.55) P4HTMMDM2MCL1KDM4EL3MBTL1
SCHEMBL5649401 0.79 KMT2A (0.55) P4HTMMDM2MCL1KDM4EL3MBTL1
SCHEMBL13466807 0.78 P4HTM (0.59) P4HTMKDM4EL3MBTL1MAPK1P4HA1
SCHEMBL1749748 0.78 KDM4E (0.61) P4HTMKDM4EL3MBTL1ALDH1A1MAPT
SCHEMBL3630216 0.78 P4HTM (0.59) P4HTMKDM4EL3MBTL1MAPK1P4HA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170145011-A1 Pyrrolopyrazine-Spirocyclic piperidine amides as modulators of ion channels VERTEX PHARMA (US) 2017-05-25 US disclosed
US-9511067-B2 Substituted spiro[piperidine-4,1'-pyrrolo[1,2-a]pyrazine]s as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-12-06 US disclosed
CN-106008504-A Pyrrolopyrazine-spirocyclic piperidine amides as modulators of ion channels 沃泰克斯药物股份有限公司 2016-10-12 CN disclosed
EP-3056495-A1 PYRROLOPYRAZINE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS Vertex Pharmaceuticals Inc. (US) 2016-08-17 EP disclosed
CN-103403004-B Pyrrolopyrazine-spirocyclic piperidine amides as modulators of ion channels VERTEX PHARMACEUTICALS INC. (US) 2016-06-01 CN disclosed
EP-2670752-B1 PYRROLOPYRAZINE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMA (US) 2016-03-16 EP disclosed
US-20150174127-A1 Pyrrolopyrazine-Spirocyclic piperidine amides as modulators of ion channels VERTEX PHARMACEUTICALS (SAN DIEGO) LLC 2015-06-25 US disclosed
US-8916565-B2 Pyrrolopyrazine-spirocyclic piperidine amides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-12-23 US disclosed
EP-2670752-A1 PYRROLOPYRAZINE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS Vertex Pharmaceuticals Incorporated (US) 2013-12-11 EP disclosed
CN-103403004-A Pyrrolopyrazine-spirocyclic piperidine amides as modulators of ion channels VERTEX PHARMA 2013-11-20 CN disclosed
WO-2012106499-A1 PYRROLOPYRAZINE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-09 WO disclosed
US-20120196869-A1 PYRROLOPYRAZINE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2012-08-02 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-20150174127-A1 Pyrrolopyrazine-Spirocyclic piperidine amides as modulators of ion channels KCNJ2, KCNJ5, KCNJ1 P4HTM 688/4885MDM2 3760/4885MCL1 3820/4885
US-20170145011-A1 Pyrrolopyrazine-Spirocyclic piperidine amides as modulators of ion channels KCNJ2, KCNJ5, KCNJ1 P4HTM 688/4885MDM2 3760/4885MCL1 3820/4885
US-20120196869-A1 PYRROLOPYRAZINE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS KCNJ2, KCNJ5, KCNJ1 P4HTM 688/4885MDM2 3760/4885MCL1 3820/4885

“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.