SCHEMBL2148389

SCHEMBL2148389

COc1ccc2c(c1)C(=O)N1CC(O)C(OCCCOC3[C@H](O)CN4C(=O)c5cc(OC)ccc5N(COCC[Si](C)(C)C)C(=O)[C@H]34)C1C(=O)N2COCC[Si](C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
PARK7 Q99497 1/20 0.34
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
HIF1A Q16665 1/20 0.33
HSD17B10 Q99714 1/20 0.33
LMNA P02545 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
PMP22 Q01453 1/20 0.33
GABRA6 Q16445 1/20 0.33
MAPT P10636 3/20 0.32
KDM4E B2RXH2 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL2297152 0.97 POLB (0.35) POLBPARK7MEN1CYP1A2MAPK1
SCHEMBL2148315 0.86 POLB (0.32) POLBPARK7CHRM5
SCHEMBL29778248 0.86 POLB (0.32) POLBPARK7CHRM5
SCHEMBL2292667 0.84 POLB (0.32) POLBPARK7CHRM5
SCHEMBL29778203 0.81 KDM4E (0.36) POLBPARK7MEN1CYP1A2MAPK1
SCHEMBL2147985 0.78 PFKFB3 (0.32) POLBPARK7MAPTKDM4ETDP1
SCHEMBL30478019 0.76 MEN1 (0.36) POLBPARK7MEN1CYP1A2MAPK1
SCHEMBL30807540 0.76 KMT2A (0.36) POLBPARK7MEN1CYP1A2MAPK1
SCHEMBL14694226 0.73 POLB (0.32) POLBPARK7
SCHEMBL29778265 0.73 POLB (0.32) POLBPARK7MEN1CYP1A2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4039280-A1 TARGETED PYRROLOBENZODIAZEPINE CONJUGATES Seagen Inc. (US) 2022-08-10 EP disclosed
EP-2558127-B1 TARGETED PYRROLOBENZODIAZEPINE CONJUGATES SEAGEN INC (US) 2022-01-19 EP disclosed
US-10561739-B2 Targeted pyrrolobenzodiazapine conjugates SEATTLE GENETICS INC. (US) 2020-02-18 US disclosed
US-20190336614-A1 TARGETED PYRROLOBENZODIAZAPINE CONJUGATES SEAGEN INC. 2019-11-07 US disclosed
US-20170143846-A1 TARGETED PYRROLOBENZODIAZAPINE CONJUGATES SPIROGEN LIMITED (GB) 2017-05-25 US disclosed
US-9624227-B2 Unsymmetrical pyrrolobenzodiazepine-dimers for treatment of proliferative diseases MEDIMMUNE LIMITED (GB) 2017-04-18 US disclosed
US-9592240-B2 Targeted pyrrolobenzodiazapine conjugates SEATTLE GENETICS INC. (US) 2017-03-14 US disclosed
EP-2789622-B1 Pyrrolobenzodiazepines used to treat proliferative diseases MEDIMMUNE LTD (GB) 2017-03-01 EP disclosed
US-20160129013-A1 TARGETED PYRROLOBENZODIAZAPINE CONJUGATES SEAGEN INC. 2016-05-12 US disclosed
US-9242013-B2 Targeted pyrrolobenzodiazapine conjugates SEATTLE GENETICS INC. (US) 2016-01-26 US disclosed
US-8940733-B2 Unsymmetrical pyrrolobenzodiazepine-dimers for treatment of proliferative diseases SPIROGEN SARL (CH) 2015-01-27 US disclosed
EP-2789622-A1 Pyrrolobenzodiazepines used to treat proliferative diseases Spirogen Sàrl (CH) 2014-10-15 EP disclosed
US-20140142090-A1 UNSYMMETRICAL PYRROLOBENZODIAZEPINE-DIMERS FOR TREATMENT OF PROLIFERATIVE DISEASES SPIROGEN SARL (CH) 2014-05-22 US disclosed
US-8697688-B2 Pyrrolobenzodiazepines used to treat proliferative diseases SEATTLE GENETICS INC. (US) 2014-04-15 US disclosed
US-8592576-B2 Unsymmetrical pyrrolobenzodiazepine-dimers for treatment of proliferative diseases SPIROGEN SARL (CH) 2013-11-26 US disclosed
US-20130059800-A1 PYRROLOBENZODIAZEPINES USED TO TREAT PROLIFERATIVE DISEASES SEATTLE GENETICS INC. (US) 2013-03-07 US disclosed
US-20130028919-A1 TARGETED PYRROLOBENZODIAZAPINE CONJUGATES SPIROGEN DEVELOPMENTS SÀRL (CH) 2013-01-31 US disclosed
US-20110201803-A1 PYRROLOBENZODIAZEPINES SPIROGEN LIMITED (GB) 2011-08-18 US disclosed
US-20110196148-A1 UNSYMMETRICAL PYRROLOBENZODIAZEPINE-DIMERS FOR TREATMENT OF PROLIFERATIVE DISEASES SPIROGEN LIMITED (GB) 2011-08-11 US disclosed
US-20110162227-A1 PYRROLOBENZODIAZEPINES SPIROGEN LIMITED (GB) 2011-07-07 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 (10 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-20160129013-A1 TARGETED PYRROLOBENZODIAZAPINE CONJUGATES QDPR, SBDS, DNPEP POLB 2322/4885PARK7 693/4885MEN1 4353/4885
US-10561739-B2 Targeted pyrrolobenzodiazapine conjugates QDPR, SBDS, DNPEP POLB 2322/4885PARK7 693/4885MEN1 4353/4885
US-20170143846-A1 TARGETED PYRROLOBENZODIAZAPINE CONJUGATES QDPR, SBDS, DNPEP POLB 2322/4885PARK7 693/4885MEN1 4353/4885
US-20110162227-A1 PYRROLOBENZODIAZEPINES GRIN2C, ZKSCAN2, ZRANB2 POLB 715/4885PARK7 350/4885MEN1 1073/4885
US-20110196148-A1 UNSYMMETRICAL PYRROLOBENZODIAZEPINE-DIMERS FOR TREATMENT OF PROLIFERATIVE DISEASES CCND2, CCNH, CCND1 POLB 280/4885PARK7 393/4885MEN1 1437/4885
US-20130059800-A1 PYRROLOBENZODIAZEPINES USED TO TREAT PROLIFERATIVE DISEASES CCNB2, CCNB3, CCNB1 POLB 453/4885PARK7 1140/4885MEN1 408/4885
US-20190336614-A1 TARGETED PYRROLOBENZODIAZAPINE CONJUGATES QDPR, SBDS, DNPEP POLB 2322/4885PARK7 693/4885MEN1 4353/4885
US-20110201803-A1 PYRROLOBENZODIAZEPINES HCRTR2, HCRTR1, CBR3 POLB 1637/4885PARK7 524/4885MEN1 3982/4885
US-20140142090-A1 UNSYMMETRICAL PYRROLOBENZODIAZEPINE-DIMERS FOR TREATMENT OF PROLIFERATIVE DISEASES PCNA, CCNB2, CDK4 POLB 120/4885PARK7 944/4885MEN1 1358/4885
US-20130028919-A1 TARGETED PYRROLOBENZODIAZAPINE CONJUGATES QDPR, SBDS, DNPEP POLB 2322/4885PARK7 693/4885MEN1 4353/4885

“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.