SCHEMBL1058641

SCHEMBL1058641

CC(C)(C)[Si](C)(C)OC[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.49
PDK1 Q15118 1/20 0.42
PDK2 Q15119 1/20 0.42
PDK3 Q15120 1/20 0.42
PDK4 Q16654 1/20 0.42
AGTR2 P50052 1/20 0.40
HTR2C P28335 1/20 0.40
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RIPK1 Q13546 1/20 0.38
PREP P48147 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 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
SCHEMBL13340947 1.00 POLB (0.49) POLBPDK1PDK2PDK3PDK4
SCHEMBL8699830 1.00 POLB (0.49) POLBPDK1PDK2PDK3PDK4
SCHEMBL1058639 1.00 POLB (0.49) POLBPDK1PDK2PDK3PDK4
SCHEMBL30781570 0.91 POLB (0.44) POLBPDK1PDK2PDK3PDK4
SCHEMBL15341340 0.89 PDK1 (0.45) POLBPDK1PDK2PDK3PDK4
SCHEMBL5765411 0.87 PDK1 (0.41) POLBPDK1PDK2PDK3PDK4
SCHEMBL9384838 0.86 ABCB1 (0.40) POLBPDK1PDK2PDK3PDK4
SCHEMBL13297956 0.86 ABCB1 (0.41) POLBPDK1PDK2PDK3PDK4
SCHEMBL9386719 0.86 PDK1 (0.40) POLBPDK1PDK2PDK3PDK4
SCHEMBL5763557 0.85 ECE1 (0.41) POLBPDK1PDK2PDK3PDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2026098315-A1 HETEROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2026-05-15 WO disclosed
EP-2839860-B1 Pyrrolobenzodiazepines and conjugates thereof MEDIMMUNE LTD (GB) 2019-05-01 EP disclosed
US-20160376591-A1 iRNA AGENTS WITH BIOCLEAVABLE TETHERS BANK OF AMERICA, N.A. 2016-12-29 US disclosed
US-9476045-B2 iRNA agents with biocleavable tethers ALNYLAM PHARMACEUTICALS, INC. (US) 2016-10-25 US disclosed
US-20150073133-A1 iRNA AGENTS WITH BIOCLEAVABLE TETHERS BANK OF AMERICA, N.A. 2015-03-12 US disclosed
EP-2839860-A1 Pyrrolobenzodiazepines and conjugates thereof Spirogen Sàrl (CH) 2015-02-25 EP disclosed
EP-2839860-A1 Pyrrolobenzodiazepines and conjugates thereof Spirogen Sàrl (CH) 2015-02-25 EP disclosed
US-8865677-B2 iRNA agents with biocleavable tethers ALNYLAM PHARMACEUTICALS, INC. (US) 2014-10-21 US disclosed
WO-2014057074-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF SPIROGEN SÀRL (CH) 2014-04-17 WO disclosed
US-8633185-B2 Pyrrolobenzodiazepines SPIROGEN SARL (CH) 2014-01-21 US disclosed
US-20060148788-A1 Pyrrolobenzodiazepines SPIROGEN LIMITED (GB) 2006-07-06 US disclosed
EP-1675857-A2 PYRROLOBENZODIAZEPINE DERIVATIVES, COMPOSITIONS COMPRISING THE SAME AND METHODS RELATED THERETO THE GOVERNMENT OF THE UNITED STATES OF AMERICA, as represented by THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2006-07-05 EP disclosed
US-7067511-B2 Pyrrolobenzodiazepines SPIROGEN LIMITED (GB) 2006-06-27 US disclosed
US-7049311-B1 Pyrrolbenzodiazepines SPIROGEN LIMITED (GB) 2006-05-23 US disclosed
WO-2005040170-A2 PYRROLOBENZODIAZEPINE DERIVATIVES, COMPOSITIONS COMPRISING THE SAME AND METHODS RELATED THERETO GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2005-05-06 WO disclosed
EP-1109812-B1 PYRROLOBENZODIAZEPINES SPIROGEN LTD (GB) 2005-05-04 EP disclosed
EP-1413582-A1 Dimeric pyrrolobenzodiazepines Spirogen Limited (GB) 2004-04-28 EP disclosed
US-20030120069-A1 Pyrrolobenzodiazepines SPIROGEN LIMITED (GB) 2003-06-26 US disclosed
EP-1193270-B1 Pyrrolobenzodiazepines SPIROGEN LTD (GB) 2003-05-14 EP disclosed
EP-1193270-A2 Pyrrolobenzodiazepines Spirogen Limited (GB) 2002-04-03 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 (2 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-20060148788-A1 Pyrrolobenzodiazepines HCRTR2, MCHR2, CHRM5 POLB 2012/4885PDK1 2323/4885PDK2 1867/4885
US-20030120069-A1 Pyrrolobenzodiazepines CNR1, CBX2, CNR2 POLB 720/4885PDK1 4078/4885PDK2 4104/4885

“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.