SCHEMBL159160

SCHEMBL159160

CCOC(=O)c1c(C)c[nH]c1CC(=O)NCC1(O)CCN(C)CC1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.34
SLC22A1 O15245 1/20 0.34
SLC6A4 P31645 1/20 0.34
ADRA1A P35348 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
KCNH2 Q12809 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 2/20 0.33
LMNA P02545 2/20 0.33
TLR2 O60603 2/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
THRB P10828 1/20 0.33
TLR1 Q15399 1/20 0.33
P2RX7 Q99572 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
SCHEMBL154007 0.83 TP53 (0.35) OPRM1SLC22A1SLC6A4ADRA1AOPRD1
SCHEMBL155129 0.78 CYP2D6 (0.46) KMT2AALDH1A1TP53LMNAMAPT
SCHEMBL175798 0.78 CYP2D6 (0.46) KCNH2KMT2AALDH1A1TP53LMNA
SCHEMBL150575 0.76 POLB (0.53) KMT2AALDH1A1TP53LMNAMAPK1
SCHEMBL153263 0.74 KMT2A (0.40) KMT2AALDH1A1LMNAMAPTMAPK1
SCHEMBL12016863 0.73 KDM4E (0.50) ALDH1A1TP53LMNAMAPTMAPK1
SCHEMBL154867 0.72 NPSR1 (0.39) KMT2AALDH1A1
SCHEMBL154130 0.71 MAPK1 (0.41) SLC22A1KMT2AALDH1A1LMNAMAPT
SCHEMBL159161 0.71 KMT2A (0.34) OPRM1KMT2AALDH1A1LMNAMAPT
SCHEMBL2780140 0.70 ALDH1A1 (0.42) ALDH1A1LMNAMAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8697692-B2 Pyrrolo [3,2-c] pyridine-4-one 2-indolinone protein kinase inhibitors SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2014-04-15 US disclosed
EP-1973910-B1 PYRROLO[3,2-C]PYRIDINE-4-ONE 2-INDOLINONE PROTEIN KINASE INHIBITORS SHANGHAI HENGRUI PHARM CO LTD (CN) 2013-06-26 EP disclosed
US-8362251-B2 Pyrrolo [3,2-C] pyridine-4-one 2-indolinone protein kinase inhibitors SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2013-01-29 US disclosed
US-20120058107-A1 PYRROLO [3,2-C] PYRIDINE-4-ONE 2-INDOLINONE PROTEIN KINASE INHIBITORS SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2012-03-08 US disclosed
US-20110301353-A1 PYRROLO [3,2-C] PYRIDINE-4-ONE 2-INDOLINONE PROTEIN KINASE INHIBITORS SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2011-12-08 US disclosed
US-8012966-B2 Pyrrolo [3,2-c] pyridine-4-one 2-indolinone protein kinase inhibitors SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2011-09-06 US disclosed
US-20100004239-A1 Pyrrolo [3,2-C] Pyridine-4-One 2-Indolinone Protein Kinase Inhibitors SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2010-01-07 US disclosed
EP-1973910-A1 PYRROLO Ý3,2-C¨PYRIDINE-4-ONE 2-INDOLINONE PROTEIN KINASE INHIBITORS Shanghai Hengrui Pharmaceutical Co. Ltd. (CN) 2008-10-01 EP disclosed
WO-2007085188-A1 PYRROLO [3,2-C] PYRIDINE-4-ONE 2-INDOLINONE PROTEIN KINASE INHIBITORS SHANGHAI HENGRUI PHARMACEUTICAL CO. LTD. (CN) 2007-08-02 WO 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-20120058107-A1 PYRROLO [3,2-C] PYRIDINE-4-ONE 2-INDOLINONE PROTEIN KINASE INHIBITORS DMPK, PDPK1, PRKAR2A OPRM1 1991/4885SLC22A1 4358/4885SLC6A4 4314/4885
US-20110301353-A1 PYRROLO [3,2-C] PYRIDINE-4-ONE 2-INDOLINONE PROTEIN KINASE INHIBITORS DMPK, PDPK1, PRKAR2A OPRM1 1991/4885SLC22A1 4358/4885SLC6A4 4314/4885
US-20100004239-A1 Pyrrolo [3,2-C] Pyridine-4-One 2-Indolinone Protein Kinase Inhibitors DMPK, CDK2, PRKAR2A OPRM1 2316/4885SLC22A1 4365/4885SLC6A4 4157/4885

“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.