SCHEMBL1358308

SCHEMBL1358308

CC(=O)N(c1cc[c]c(Cl)c1)N1CCOCC1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.35
PRKDC P78527 1/20 0.35
TSHR P16473 2/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 3/20 0.34
AKR1C3 P42330 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PKM P14618 1/20 0.34
PHGDH O43175 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
KDM4E B2RXH2 1/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
MCL1 Q07820 1/20 0.33

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
SCHEMBL5522482 0.80 SMN1; SMN2 (0.36) HPGDPRKDCTSHRPOLBMAPT
SCHEMBL11732309 0.72 TERT (0.41) HPGDPRKDCTSHRMAPTSMN1; SMN2
SCHEMBL10917858 0.72 GAA (0.44) HPGDPRKDCPOLBMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL10944244 0.71 GAA (0.43) HPGDPRKDCMAPTSMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL11732394 0.70 TERT (0.39) HPGDTSHRPOLBMAPTSMN1; SMN2
SCHEMBL5519260 0.68 POLB (0.35) TSHRPOLBKMT2ALMNA
SCHEMBL6799570 0.67 SMN1; SMN2 (0.35) HPGDTSHRPOLBMAPTSMN1; SMN2
SCHEMBL27531202 0.67 HRH3 (0.40) HPGDMAPTSMN1; SMN2RAB9AKMT2A
SCHEMBL541488 0.66 LMNA (0.47) PRKDCTSHRMAPTAKR1C3SMN1; SMN2
SCHEMBL8779695 0.65 ALDH1A1 (0.50) HPGDTSHRPOLBMAPTAKR1C3

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 118 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338412-B2 Inhibitors of P38 VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-12-25 US claimed
EP-1309560-B1 Pyridine derivatives as inhibitors of p38 VERTEX PHARMA (US) 2012-10-03 EP claimed
US-20110281878-A1 INHIBITORS OF p38 VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-11-17 US claimed
US-20110160163-A1 INHIBITORS OF p38 VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-30 US claimed
EP-2336111-A1 Heterocyclic inhibitors of p38 VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-22 EP claimed
US-7951809-B2 Inhibitors of p38 VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-05-31 US claimed
US-7919513-B2 Inhibitors of p38 VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-04-05 US claimed
US-20090318452-A1 INHIBITORS OF p38 VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-12-24 US claimed
US-7598277-B2 Inhibitors of p38 VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-10-06 US claimed
EP-2062879-A1 Heterocyclic inhibitors of p38 Vertex Pharmceuticals Incorporated (US) 2009-05-27 EP claimed
WO-2001070695-A1 PYRIDINE DERIVATIVES AS INHIBITORS OF P38 VERTEX PHARMACEUTICALS INCORPORATED (US) 2001-09-27 WO claimed
CN-1306512-A Heterocyclic inhibitors of P38 VERTEX PHARMA (US) 2001-08-01 CN claimed
EP-1114039-A1 INHIBITORS OF p38 Vertex Pharmaceuticals Incorporated (US) 2001-07-11 EP claimed
EP-1086085-A1 INHIBITORS OF p38 Vertex Pharmaceuticals Incorporated (US) 2001-03-28 EP claimed
EP-1077943-A1 HETEROCYCLIC INHIBITORS OF P38 Vertex Pharmaceuticals Incorporated (US) 2001-02-28 EP claimed
WO-2000017175-A1 INHIBITORS OF p38 VERTEX PHARMACEUTICALS INCORPORATED (US) 2000-03-30 WO claimed
WO-1999064400-A1 INHIBITORS OF p38 VERTEX PHARMACEUTICALS INCORPORATED (US) 1999-12-16 WO claimed
WO-1999058502-A1 HETEROCYCLIC INHIBITORS OF P38 VERTEX PHARMACEUTICALS INCORPORATED (US) 1999-11-18 WO claimed
EP-0951467-A1 SUBSTITUTED NITROGEN CONTAINING HETEROCYCLES AS INHIBITORS OF p38 PROTEIN KINASE Vertex Pharmaceuticals Incorporated (US) 1999-10-27 EP claimed
WO-1998027098-A1 SUBSTITUTED NITROGEN CONTAINING HETEROCYCLES AS INHIBITORS OF p38 PROTEIN KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 1998-06-25 WO claimed

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-20110160163-A1 INHIBITORS OF p38 ZAP70, MAPK1, MAP3K20 HPGD 2180/4885PRKDC 71/4885TSHR 3685/4885
US-20110281878-A1 INHIBITORS OF p38 MAPK1, MAPK3, MAP3K1 HPGD 1371/4885PRKDC 165/4885TSHR 3750/4885
US-20090318452-A1 INHIBITORS OF p38 ZAP70, MAPK1, MAP3K20 HPGD 2180/4885PRKDC 71/4885TSHR 3685/4885

“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.