SCHEMBL3785573

SCHEMBL3785573

NC(=O)c1ccc2c(C(N)=O)[c]ccc2c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.44
PARP1 P09874 5/20 0.38
CSNK2A1 P68400 1/20 0.38
HIPK2 Q9H2X6 1/20 0.38
PLAU P00749 3/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
BRD4 O60885 1/20 0.37
BRPF1 P55201 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ERN1 O75460 2/20 0.36
TSHR P16473 1/20 0.35
SLC9A1 P19634 1/20 0.35
PTPN1 P18031 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL4670596 0.83 LCK (0.36) LCKPARP1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL1229740 0.77 KDM4E (0.43) PARP1ALDH1A1KDM4ESMN1; SMN2HSD17B10
SCHEMBL5749006 0.76 KDM4E (0.54) PARP1ALDH1A1KDM4ESMN1; SMN2HSD17B10
Hydrochloric Acid SCHEMBL8169298 0.75 KDM4E (0.42) PARP1ALDH1A1KDM4ESMN1; SMN2HSD17B10
SCHEMBL4670559 0.71 SLC2A1 (0.41) ALDH1A1KDM4ESMN1; SMN2HSD17B10TSHR
SCHEMBL2363489 0.70 LCK (0.78) LCKPARP1PLAUALDH1A1KDM4E
SCHEMBL4578803 0.69 ALDH1A1 (0.68) LCKPARP1PLAUALDH1A1KDM4E
SCHEMBL30935786 0.68 LCK (0.75) LCKPARP1PLAUALDH1A1KDM4E
SCHEMBL4405181 0.68 LCK (0.75) LCKPARP1PLAUALDH1A1KDM4E
SCHEMBL29463701 0.68 ALDH1A1 (0.62) LCKPARP1PLAUALDH1A1KDM4E

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-8354444-B2 Substituted pyrrolidine-2-carboxamides HOFFMANN-LA ROCHE INC. (US) 2013-01-15 US claimed
EP-2534132-A1 SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES F. Hoffmann-La Roche AG (CH) 2012-12-19 EP claimed
US-20100152190-A1 Substituted Pyrrolidine-2-Carboxamides F. HOFFMANN-LA ROCHE AG (CH) 2010-06-17 US claimed
CN-107847600-B Combination therapy of anti-CD 20 antibodies with Bcl-2 inhibitors and MDM2 inhibitors 豪夫迈·罗氏有限公司 2021-09-03 CN disclosed
EP-3302549-B1 COMBINATION THERAPY OF AN ANTI CD20 ANTIBODY WITH A BCL-2 INHIBITOR AND A MDM2 INHIBITOR HOFFMANN LA ROCHE (CH) 2019-07-03 EP disclosed
EP-3302549-A1 COMBINATION THERAPY OF AN ANTI CD20 ANTIBODY WITH A BCL-2 INHIBITOR AND A MDM2 INHIBITOR H. Hoffnabb-La Roche Ag (CH) 2018-04-11 EP disclosed
US-9657351-B2 MRNA-based gene expression for personalizing patient cancer therapy with an MDM2 antagonist HOFFMAN-LA ROCHE INC. (US) 2017-05-23 US disclosed
EP-2534132-B1 SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES HOFFMANN LA ROCHE (CH) 2017-04-26 EP disclosed
WO-2016188935-A1 COMBINATION THERAPY OF AN ANTI CD20 ANTIBODY WITH A BCL-2 INHIBITOR AND A MDM2 INHIBITOR F. HOFFMANN-LA ROCHE AG (CH) 2016-12-01 WO disclosed
US-20160347852-A1 Combination therapy of an anti-CD20 antibody with a Bcl-2 inhibitor and a MDM2 inhibitor HOFFMANN-LA ROCHE INC. (US) 2016-12-01 US disclosed
US-20150211073-A1 MRNA-BASED GENE EXPRESSION FOR PERSONALIZING PATIENT CANCER THERAPY WITH AN MDM2 ANTAGONIST HOFFMANN-LA ROCHE INC. 2015-07-30 US disclosed
US-8354444-B2 Substituted pyrrolidine-2-carboxamides HOFFMANN-LA ROCHE INC. (US) 2013-01-15 US disclosed
EP-2534132-A1 SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES F. Hoffmann-La Roche AG (CH) 2012-12-19 EP disclosed
US-20100152190-A1 Substituted Pyrrolidine-2-Carboxamides F. HOFFMANN-LA ROCHE AG (CH) 2010-06-17 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-20100152190-A1 Substituted Pyrrolidine-2-Carboxamides ARG2, CCNY, PYCR1 LCK 2395/4885PARP1 25/4885CSNK2A1 1074/4885
US-20150211073-A1 MRNA-BASED GENE EXPRESSION FOR PERSONALIZING PATIENT CANCER THERAPY WITH AN MDM2 ANTAGONIST MDM2, TP53, TP53BP1 LCK 3914/4885PARP1 270/4885CSNK2A1 1615/4885
US-20160347852-A1 Combination therapy of an anti-CD20 antibody with a Bcl-2 inhibitor and a MDM2 inhibitor BCL2L1, MCL1, CD22 LCK 896/4885PARP1 376/4885CSNK2A1 2125/4885

“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.