SCHEMBL157017

SCHEMBL157017

CCOC(=O)c1c(C)c[nH]c1CCNCCN(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
RAD52 P43351 3/20 0.41
APAF1 O14727 1/20 0.41
AGTR1 P30556 1/20 0.41
UBE2N P61088 1/20 0.41
HTR1A P08908 1/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
HTR1F P30939 1/20 0.36
HTR7 P34969 1/20 0.36
DRD3 P35462 1/20 0.36
HTR6 P50406 1/20 0.36
PDE4D Q08499 1/20 0.35
ALDH1A1 P00352 2/20 0.35
ATM Q13315 1/20 0.35
RCE1 Q9Y256 1/20 0.35
HPGD P15428 2/20 0.35

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
SCHEMBL151800 0.89 SMN1; SMN2 (0.40) KMT2AMEN1PDE4DALDH1A1ATM
SCHEMBL158429 0.86 HPGD (0.38) PDE4DALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL154867 0.81 NPSR1 (0.39) KMT2AMEN1RAD52APAF1AGTR1
SCHEMBL152626 0.79 KMT2A (0.40) KMT2AMEN1ALDH1A1HPGDMAPT
SCHEMBL3139605 0.79 HPGD (0.36) KMT2AMEN1PDE4DALDH1A1HPGD
SCHEMBL153614 0.78 ALDH1A1 (0.41) KMT2AMEN1ALDH1A1HPGDMAPT
SCHEMBL23498902 0.76 ALDH1A1 (0.47) KMT2AMEN1PDE4DALDH1A1HPGD
SCHEMBL27259271 0.76 APLNR (0.44) KMT2AMEN1PDE4DALDH1A1HPGD
SCHEMBL15061872 0.76 ALDH1A1 (0.42) HTR6PDE4DALDH1A1HPGDMAPT
SCHEMBL12016830 0.74 KDM4E (0.46) KMT2AMEN1RAD52ALDH1A1HPGD

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 KMT2A 2095/4885MEN1 3124/4885RAD52 3691/4885
US-20110301353-A1 PYRROLO [3,2-C] PYRIDINE-4-ONE 2-INDOLINONE PROTEIN KINASE INHIBITORS DMPK, PDPK1, PRKAR2A KMT2A 2095/4885MEN1 3124/4885RAD52 3691/4885
US-20100004239-A1 Pyrrolo [3,2-C] Pyridine-4-One 2-Indolinone Protein Kinase Inhibitors DMPK, CDK2, PRKAR2A KMT2A 1915/4885MEN1 3235/4885RAD52 3371/4885

“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.