SCHEMBL159161

SCHEMBL159161

CCOC(=O)c1c(C)c[nH]c1CC(=O)NC(C)C1(O)CCNCC1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.34
OPRM1 P35372 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
LMNA P02545 2/20 0.32
HTT P42858 1/20 0.32
KDM4E B2RXH2 2/20 0.31
MEN1 O00255 2/20 0.31
MAPT P10636 2/20 0.31
ALOX15 P16050 1/20 0.31
ALDH1A1 P00352 3/20 0.31
GLA P06280 1/20 0.31
ALOX5 P09917 1/20 0.30
RECQL P46063 1/20 0.30
CYP3A4 P08684 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL154008 0.83 OPRM1 (0.35) OPRM1LMNAHTTMAPTALDH1A1
SCHEMBL159160 0.71 OPRM1 (0.34) KMT2AOPRM1LMNAMAPTALDH1A1
SCHEMBL155605 0.70 SMN1; SMN2 (0.43) KMT2ASMN1; SMN2LMNAKDM4EMEN1
SCHEMBL23498902 0.69 ALDH1A1 (0.47) KMT2ASMN1; SMN2LMNAKDM4EMEN1
SCHEMBL27259664 0.69 ALDH1A1 (0.47) KMT2ASMN1; SMN2LMNAKDM4EMEN1
SCHEMBL154867 0.68 NPSR1 (0.39) KMT2ASMN1; SMN2HTTMEN1ALDH1A1
SCHEMBL155129 0.68 CYP2D6 (0.46) KMT2ASMN1; SMN2LMNAKDM4EMEN1
SCHEMBL154130 0.67 MAPK1 (0.41) KMT2ASMN1; SMN2LMNAHTTKDM4E
SCHEMBL175798 0.67 CYP2D6 (0.46) KMT2ASMN1; SMN2LMNAKDM4EMEN1
SCHEMBL154131 0.66 ALDH1A1 (0.38) KMT2ASMN1; SMN2LMNAKDM4EMEN1

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 7 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

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 KMT2A 2095/4885OPRM1 1991/4885SMN1; SMN2 4128/4885
US-20110301353-A1 PYRROLO [3,2-C] PYRIDINE-4-ONE 2-INDOLINONE PROTEIN KINASE INHIBITORS DMPK, PDPK1, PRKAR2A KMT2A 2095/4885OPRM1 1991/4885SMN1; SMN2 4128/4885
US-20100004239-A1 Pyrrolo [3,2-C] Pyridine-4-One 2-Indolinone Protein Kinase Inhibitors DMPK, CDK2, PRKAR2A KMT2A 1915/4885OPRM1 2316/4885SMN1; SMN2 4148/4885

“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.