SCHEMBL154464

SCHEMBL154464

CC(O)C(=O)Nc1cc2c(cc1F)CC(=O)N2

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 2/20 0.45
▸ SMYD3 Q9H7B4 7/20 0.38
▸ CRBN Q96SW2 3/20 0.38
▸ ANPEP P15144 1/20 0.37
▸ GRIN1 Q05586 1/20 0.36
▸ GRIN2B Q13224 1/20 0.36
▸ HDAC1 Q13547 1/20 0.34
▸ AHR P35869 3/20 0.34
▸ CMA1 P23946 2/20 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
SCHEMBL154463 1.00 HDAC3 (0.45) HDAC3SMYD3CRBNANPEPGRIN1
SCHEMBL155059 0.84 HDAC3 (0.41) HDAC3SMYD3CRBNANPEPGRIN1
SCHEMBL152807 0.83 HDAC3 (0.45) HDAC3SMYD3CRBNHDAC1AHR
SCHEMBL155927 0.80 HDAC3 (0.44) HDAC3SMYD3CRBNGRIN1GRIN2B
SCHEMBL155351 0.79 HDAC3 (0.42) HDAC3SMYD3CRBNHDAC1AHR
SCHEMBL154844 0.78 SMN1; SMN2 (0.42) HDAC3SMYD3CRBNHDAC1
SCHEMBL13449528 0.77 HDAC3 (0.43) HDAC3SMYD3CRBNANPEPGRIN1
SCHEMBL12016987 0.76 USP2 (0.42) HDAC3SMYD3CRBNHDAC1
SCHEMBL159194 0.74 HDAC3 (0.39) HDAC3SMYD3CRBNHDAC1
SCHEMBL156860 0.72 AHR (0.39) HDAC3SMYD3CRBNAHRCMA1

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 16 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
US-20130303518-A1 Methods of Inhibiting the Catalytic Activity of a Protein Kinase and of Treating a Protein Kinase Related Disorder SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2013-11-14 — — 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-8329682-B2 Pyrrolo-nitrogenous heterocyclic derivatives, the preparation and the pharmaceutical use thereof SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2012-12-11 — — US disclosed
CN-101675061-B Pyrrolo-nitrogenous heterocyclic derivatives, the preparation and the pharmaceutical use thereof SHANGHAI HENGRUI PHARM CO LTD 2012-07-04 — — CN 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
CN-101307052-B Method for preparing pyrrole-N-heterocyclic ring derivates and medical application thereof SHANGHAI HENGRUI PHARM CO LTD 2011-08-17 — — CN disclosed
US-20100075952-A1 PYRROLO-NITROGENOUS HETEROCYCLIC DERIVATIES,THE PREPARATION AND THE PHARMCETICAL USE THEEOF SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD (CN) 2010-03-25 — — US disclosed
EP-2157093-A1 PYRROLO-NITROGENOUS HETEROCYCLIC DERIVATIVES, THE PREPARATION AND THE PHARMACEUTICAL USE THEREOF Shanghai Hengrui Pharmaceutical Co. Ltd. (CN) 2010-02-24 — — EP 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
CN-101307052-A Method for preparing pyrrole-N-heterocyclic ring derivates and medical application thereof SHANGHAI HENGRUI PHARM CO LTD (CN) 2008-11-19 — — CN 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 (5 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 HDAC3 1806/4885SMYD3 3367/4885CRBN 1164/4885
US-20110301353-A1 PYRROLO [3,2-C] PYRIDINE-4-ONE 2-INDOLINONE PROTEIN KINASE INHIBITORS DMPK, PDPK1, PRKAR2A HDAC3 1806/4885SMYD3 3367/4885CRBN 1164/4885
US-20100075952-A1 PYRROLO-NITROGENOUS HETEROCYCLIC DERIVATIES,THE PREPARATION AND THE PHARMCETICAL USE THEEOF MTOR, PKN2, MAP3K15 HDAC3 1925/4885SMYD3 2630/4885CRBN 1716/4885
US-20130303518-A1 Methods of Inhibiting the Catalytic Activity of a Protein Kinase and of Treating a Protein Kinase Related Disorder PRKACA, PACSIN2, PRKACB HDAC3 2871/4885SMYD3 3758/4885CRBN 1248/4885
US-20100004239-A1 Pyrrolo [3,2-C] Pyridine-4-One 2-Indolinone Protein Kinase Inhibitors DMPK, CDK2, PRKAR2A HDAC3 1756/4885SMYD3 3656/4885CRBN 975/4885

“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.

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