SCHEMBL153263

SCHEMBL153263

CCOC(=O)c1c(C)c[nH]c1CC(=O)NCCNC(C)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.40
GAA P10253 1/20 0.39
HTT P42858 2/20 0.38
ALDH1A1 P00352 4/20 0.36
TSHR P16473 1/20 0.36
NQO2 P16083 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 2/20 0.34
LMNA P02545 2/20 0.34
POLB P06746 1/20 0.34
MAPK1 P28482 2/20 0.34
NR1H2 P55055 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
SCHEMBL3139527 0.88 LMNA (0.45) GAAMAPTLMNAPOLB
SCHEMBL154867 0.85 NPSR1 (0.39) KMT2AHTTALDH1A1TSHRSMN1; SMN2
SCHEMBL154130 0.84 MAPK1 (0.41) KMT2AHTTALDH1A1TSHRSMN1; SMN2
SCHEMBL155129 0.82 CYP2D6 (0.46) KMT2AGAAALDH1A1TSHRSMN1; SMN2
SCHEMBL175798 0.81 CYP2D6 (0.46) KMT2AGAAALDH1A1SMN1; SMN2CYP3A4
SCHEMBL150575 0.79 POLB (0.53) KMT2AGAAALDH1A1TSHRCYP3A4
SCHEMBL155605 0.78 SMN1; SMN2 (0.43) KMT2AGAAALDH1A1CA12CA1
SCHEMBL23498902 0.77 ALDH1A1 (0.47) KMT2AGAAALDH1A1TSHRCA12
SCHEMBL12016863 0.77 KDM4E (0.50) GAAHTTALDH1A1CYP3A4MAPT
SCHEMBL153264 0.76 ALDH1A1 (0.35) KMT2AALDH1A1TSHRCA12CA1

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 2095/4885GAA 3875/4885HTT 3856/4885
US-20110301353-A1 PYRROLO [3,2-C] PYRIDINE-4-ONE 2-INDOLINONE PROTEIN KINASE INHIBITORS DMPK, PDPK1, PRKAR2A KMT2A 2095/4885GAA 3875/4885HTT 3856/4885
US-20100004239-A1 Pyrrolo [3,2-C] Pyridine-4-One 2-Indolinone Protein Kinase Inhibitors DMPK, CDK2, PRKAR2A KMT2A 1915/4885GAA 3969/4885HTT 3795/4885

“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.